SCHEMBL693187

SCHEMBL693187

CC1=C(c2ccc(C(=O)O)cc2)N=NC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.46
RXRB P28702 3/20 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
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 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
ALOX5 P09917 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 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
SCHEMBL695537 0.75 RXRA (0.46) RXRARXRBALDH1A1SMN1; SMN2TP53
SCHEMBL692332 0.69 TSHR (0.44) RXRARXRBALDH1A1SMN1; SMN2TP53
SCHEMBL69873 0.68 TSHR (0.80) RXRARXRBALDH1A1SMN1; SMN2TP53
SCHEMBL14018385 0.68 TSHR (0.80) RXRARXRBALDH1A1SMN1; SMN2TP53
Terephthalic Acid SCHEMBL9577834 0.68 TSHR (0.80) RXRARXRBALDH1A1SMN1; SMN2TP53
SCHEMBL2637326 0.68 TSHR (0.80) RXRARXRBALDH1A1SMN1; SMN2TP53
SCHEMBL692709 0.68 TPMT (0.32) ALDH1A1SMN1; SMN2TSHR
SCHEMBL13888048 0.68 ALDH1A1 (0.85) RXRARXRBALDH1A1SMN1; SMN2TP53
SCHEMBL308875 0.68 ALDH1A1 (0.85) RXRARXRBALDH1A1SMN1; SMN2TP53
SCHEMBL12987957 0.66 TSHR (0.75) 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 4 patents. 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-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