SCHEMBL8985251

SCHEMBL8985251

CSc1ccc(-c2cc(C(=O)O)sc2-c2ccccc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.47
ACMSD Q8TDX5 1/20 0.43
NOTUM Q6P988 7/20 0.43
MAPT P10636 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHODH Q02127 1/20 0.38
ESR1 P03372 1/20 0.38
OPRD1 P41143 1/20 0.38
PTGS1 P23219 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8985263 0.89 NOTUM (0.41) MAPK14NOTUMMAPTALDH1A1NPC1
SCHEMBL8985265 0.87 SMN1; SMN2 (0.45) MAPK14MAPTHPGDNPC1TDP1
SCHEMBL8985257 0.86 MAPK14 (0.52) MAPK14ACMSDNOTUMMAPTKDM4E
SCHEMBL8985541 0.84 MAPK14 (0.56) MAPK14NOTUMKDM4EALDH1A1HPGD
SCHEMBL8985537 0.84 MAPK14 (0.51) MAPK14NOTUMNPC1TDP1L3MBTL1
SCHEMBL8985510 0.83 MAPK14 (0.67) MAPK14NOTUMKDM4EHPGDOPRD1
SCHEMBL8985288 0.83 MAPK14 (0.67) MAPK14NOTUMKDM4EHPGDOPRD1
SCHEMBL8985259 0.78 MAPK14 (0.50) MAPK14NOTUMMAPTKDM4EALDH1A1
SCHEMBL8985273 0.76 OPRD1 (0.67) MAPK14MAPTKDM4EALDH1A1HPGD
SCHEMBL8985432 0.74 MAPK14 (0.46) MAPK14KDM4ENPC1TDP1L3MBTL1

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