SCHEMBL695537

SCHEMBL695537

CC1=C(c2ccc(C(=O)O)cc2)C(=O)N=N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.46
RXRB P28702 4/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SRD5A2 P31213 2/20 0.41
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
HPGD P15428 1/20 0.41
TPMT P51580 1/20 0.41
ALOX5 P09917 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXRG P48443 2/20 0.39
RARA P10276 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL692332 0.84 TSHR (0.44) RXRARXRBALDH1A1SMN1; SMN2TP53
SCHEMBL182947 0.79 PDE4B (0.42) ALDH1A1POLBGAAHTT
SCHEMBL9660904 0.79 CYP2D6 (0.47) ALDH1A1POLBHPGDALOX5HSD17B10
SCHEMBL692615 0.76 MCL1 (0.55) ALOX5
SCHEMBL693187 0.75 RXRA (0.46) RXRARXRBALDH1A1SMN1; SMN2TP53
SCHEMBL691605 0.75 TP53 (0.39) RXRARXRBALDH1A1TP53TSHR
SCHEMBL2637326 0.68 TSHR (0.80) RXRARXRBALDH1A1SMN1; SMN2TP53
Terephthalic Acid SCHEMBL9577834 0.68 TSHR (0.80) RXRARXRBALDH1A1SMN1; SMN2TP53
SCHEMBL69873 0.68 TSHR (0.80) RXRARXRBALDH1A1SMN1; SMN2TP53
SCHEMBL14018385 0.68 TSHR (0.80) RXRARXRBALDH1A1SMN1; SMN2TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP claimed
WO-2010123866-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO claimed
EP-4247323-A2 GRANULATED HAIR DYE COMPOSITION Wella Germany GmbH (DE) 2023-09-27 EP disclosed
WO-2022106628-A2 GRANULATED HAIR DYE COMPOSITION WELLA GERMANY GMBH (DE) 2022-05-27 WO disclosed
WO-2019074736-A1 KERATIN DYEING COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND METHOD AND USE THEREOF NOXELL CORPORATION (US) 2019-04-18 WO disclosed
WO-2018053096-A1 METHOD OF INCREASING UPTAKE AND WASHFASTNESS OF HAIR HEALTH COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2018-03-22 WO disclosed
EP-3271025-A1 METHOD OF COLORING HAIR WITH DIRECT DYE COMPOUNDS Noxell Corporation (US) 2018-01-24 EP disclosed
EP-3270874-A1 COMPOSITIONS FOR DYEING HAIR WITH CATIONIC DIRECT DYES Noxell Corporation (US) 2018-01-24 EP disclosed
EP-3271026-A1 METHOD OF COLORING HAIR WITH DIRECT DYE COMPOUNDS Noxell Corporation (US) 2018-01-24 EP disclosed
EP-3271027-A1 COMPOSITIONS FOR DYEING HAIR WITH CATIONIC DIRECT DYES Noxell Corporation (US) 2018-01-24 EP disclosed
WO-2016149429-A1 COMPOSITIONS FOR DYEING HAIR WITH CATIONIC DIRECT DYES THE PROCTER & GAMBLE COMPANY (US) 2016-09-22 WO disclosed
WO-2013122990-A1 1-HEXYL-1H-PYRAZOLE-4,5-DIAMINE HEMISULFATE, AND ITS USE IN DYEING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2013-08-22 WO disclosed
WO-2013105992-A1 OXIDATIVE DYEING COMPOSITIONS COMPRISING AN 1-HEXYL/HEPTYL-4,5-DIAMINOPYRAZOLE AND A PYRIDINE AND DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY (US) 2013-07-18 WO disclosed
WO-2013085554-A2 OXIDATIVE DYEING COMPOSITIONS COMPRISING AN 1-HEXYL/HEPTYL-4,5-DIAMINOPYRAZOLE AND A NAPHTHALEN-1-OL AND DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY (US) 2013-06-13 WO disclosed
WO-2013085553-A2 OXIDATIVE DYEING COMPOSITIONS COMPRISING AN 1-HEXYL/HEPTYL-4,5-DIAMINOPYRAZOLE AND A BENZO[1,3]DIOXOL-5-YLAMINE AND DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY (US) 2013-06-13 WO disclosed
WO-2013058814-A1 OXIDATIVE DYEING COMPOSITIONS COMPRISING AN 1-HEXYL/HEPTYL-4,5-DIAMINOPYRAZOLE AND A BENZENE-1,3-DIOL AND DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY (US) 2013-04-25 WO disclosed
WO-2013058815-A1 OXIDATIVE DYEING COMPOSITIONS COMPRISING AN 1-HEXYL/HEPTYL-4,5-DIAMINOPYRAZOLE AND A BENZENE-1,3-DIAMINE AND DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY (US) 2013-04-25 WO disclosed
WO-2013058816-A1 OXIDATIVE DYEING COMPOSITIONS COMPRISING AN 1-HEXYL/HEPTYL-4,5-DIAMINOPYRAZOLE AND A 2-AMINOPHENOL AND DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY (US) 2013-04-25 WO disclosed
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP disclosed
WO-2010123866-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO disclosed