SCHEMBL8985259

SCHEMBL8985259

CSc1ccc(-c2cc(C(=O)O)sc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.50
OPRD1 P41143 1/20 0.46
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
ALAD P13716 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
NOTUM Q6P988 1/20 0.40
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 2/20 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
SCHEMBL8985541 0.93 MAPK14 (0.56) MAPK14OPRD1ALDH1A1LMNANOTUM
SCHEMBL8985419 0.89 MAPK14 (0.52) MAPK14OPRD1ALDH1A1POLBCYP1A2
SCHEMBL12496411 0.89 MAPK14 (0.60) MAPK14OPRD1ALDH1A1POLBSMN1; SMN2
SCHEMBL8985288 0.86 MAPK14 (0.67) MAPK14OPRD1CYP1A2CYP2C9CYP2C19
SCHEMBL8985510 0.86 MAPK14 (0.67) MAPK14OPRD1CYP1A2CYP2C9CYP2C19
SCHEMBL8985488 0.86 ALDH1A1 (0.55) MAPK14OPRD1ALDH1A1POLBCYP1A2
SCHEMBL8985209 0.86 SMN1; SMN2 (0.45) MAPK14OPRD1ALDH1A1POLBCYP1A2
SCHEMBL8985537 0.84 MAPK14 (0.51) MAPK14OPRD1NOTUMNPC1L3MBTL1
SCHEMBL8985273 0.84 OPRD1 (0.67) MAPK14OPRD1ALDH1A1CYP1A2CYP2D6
SCHEMBL8985432 0.82 MAPK14 (0.46) MAPK14OPRD1SMN1; SMN2AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed