SCHEMBL7717501

SCHEMBL7717501

CC(C)(c1ccccc1)c1cc2ccccc2c(C(=O)O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.53
HPGD P15428 3/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP2C19 P33261 2/20 0.53
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
GLA P06280 1/20 0.53
KMT2A Q03164 1/20 0.53
GLRA3 O75311 1/20 0.47
GLRB P48167 1/20 0.47
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46
HIF1A Q16665 2/20 0.41
CYP3A4 P08684 2/20 0.41
STAT6 P42226 1/20 0.41
DHODH Q02127 3/20 0.40
PDE10A Q9Y233 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL11757013 0.88 GLRA3 (0.61) CYP1A2HPGDALDH1A1CYP2C19HSD17B10
SCHEMBL19195723 0.86 GLRA3 (0.66) CYP1A2HPGDALDH1A1CYP2C19HSD17B10
SCHEMBL9325873 0.85 GLRA3 (0.64) CYP1A2HPGDALDH1A1CYP2C19HSD17B10
SCHEMBL9324917 0.82 GLRA3 (0.50) ALDH1A1CYP2C19KMT2AGLRA3GLRB
SCHEMBL22166902 0.81 CYP1A2 (0.51) CYP1A2HPGDALDH1A1CYP2C19HSD17B10
Water SCHEMBL9345929 0.81 GLRA3 (0.49) ALDH1A1CYP2C19KMT2AGLRA3GLRB
Water SCHEMBL9341157 0.81 GLRA3 (0.49) ALDH1A1CYP2C19KMT2AGLRA3GLRB
SCHEMBL9341203 0.81 GLRA3 (0.49) ALDH1A1CYP2C19KMT2AGLRA3GLRB
SCHEMBL9342077 0.79 GLRA3 (0.56) CYP1A2ALDH1A1CYP2C19MEN1KMT2A
Water SCHEMBL9343037 0.79 GLRA3 (0.47) ALDH1A1CYP2C19KMT2AGLRA3GLRB

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
US-6383982-B1 DYE DEVELOPERS FOR COLORING, METAL SALICYLATE AND POLYESTER POLYOLS WITH CARBONATE OR ESTER MITSUI CHEMICALS, INC. (JP) 2002-05-07 US disclosed
US-5328884-A Salicylic acid salt,and amide or sulfonamide as developer KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-07-12 US disclosed
US-5250108-A Mixture of salicylic acid salt, amide and sulfonamide compounds KANZAKI PAPER MANUFACTURING CO. LTD. (JP) 1993-10-05 US disclosed
US-5164001-A Salicylic salt, acrylamide copolymer SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1992-11-17 US disclosed