SCHEMBL7899259

SCHEMBL7899259

COc1ccc(-c2cc(C(=O)O)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.81
MAPK14 Q16539 2/20 0.56
KDM4E B2RXH2 3/20 0.55
GLA P06280 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
EP300 Q09472 1/20 0.53
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
PTPN1 P18031 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
BACE1 P56817 1/20 0.46

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
SCHEMBL8985362 0.93 OPRD1 (0.71) OPRD1MAPK14KDM4EGLASMN1; SMN2
SCHEMBL8985273 0.91 OPRD1 (0.67) OPRD1MAPK14KDM4EGLASMN1; SMN2
SCHEMBL1847221 0.84 OPRD1 (0.59) OPRD1MAPK14KDM4EGLASMN1; SMN2
SCHEMBL2159048 0.84 OPRD1 (0.59) OPRD1MAPK14KDM4EGLASMN1; SMN2
SCHEMBL8985468 0.84 OPRD1 (0.70) OPRD1MAPK14KDM4ESMN1; SMN2EP300
SCHEMBL8985511 0.84 OPRD1 (0.74) OPRD1KDM4EGLASMN1; SMN2EP300
SCHEMBL1851230 0.83 OPRD1 (0.57) OPRD1MAPK14KDM4EGLASMN1; SMN2
SCHEMBL6251131 0.82 MAPK14 (0.60) OPRD1MAPK14KDM4EPTGS1PTGS2
SCHEMBL3604294 0.82 OPRD1 (0.56) OPRD1MAPK14KDM4EGLASMN1; SMN2
SCHEMBL8985383 0.81 MAPK14 (0.70) OPRD1MAPK14KDM4ESMN1; SMN2EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37078-E1 Thiophene compounds ADIR ET COMPAGNIE (FR) 2001-02-27 US disclosed
US-5705525-A ANTIINFLAMMATORY AGENTS AND TREATMENT OF RHEUMATIC DISEASES ADIR ET COMPAGNIE (FR) 1998-01-06 US disclosed