SCHEMBL1965666

SCHEMBL1965666

CC(C)(C)c1ccccc1C([NH])=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.46
CA2 P00918 1/20 0.43
ATM Q13315 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
RBP4 P02753 1/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
ELANE P08246 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 3/20 0.36
RXRA P19793 1/20 0.36

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
SCHEMBL1148444 0.82 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL30663932 0.80 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL360806 0.80 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL39249 0.80 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL7537141 0.80 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL31028133 0.80 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL6737753 0.78 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL8616914 0.78 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL2307603 0.78 LMNA (0.60) ALDH1A1GAALMNAPTGS1HPGD
SCHEMBL21236242 0.78 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCA2ATM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010146142-A9 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES HDS LIMITED (GB) 2011-06-16 WO claimed
WO-2010146142-A9 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES HDS LIMITED (GB) 2011-06-16 WO disclosed
US-6455458-B1 HIGH MOLECULAR WEIGHT POLYOLEFIN; GROUP 4 TRANSITION METAL COMPLEXES HAVING A BIDENTATE ANCILLARY LIGAND SYSTEM OF ONE CYCLOPENTADIENYL GROUP BOUND TO THE TRANSITION METAL AND A GROUP 15 OR GROUP 16 ATOM COVALENTLY BOUND THROUGH A BRIDGING EXXONMOBIL CHEMICAL PATENTS INC. 2002-09-24 US disclosed
US-6331628-B1 REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-18 US disclosed
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed