SCHEMBL8985257

SCHEMBL8985257

CSc1ccc(-c2cc(C(=O)O)sc2-c2ccc(F)cc2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.52
TTR P02766 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
DHFR P00374 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
LMNA P02545 1/20 0.44
ALB P02768 1/20 0.44
HMGB1 P09429 1/20 0.44
HPGD P15428 1/20 0.44
CXCL12 P48061 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGS1 P23219 4/20 0.42

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
SCHEMBL8985510 0.87 MAPK14 (0.67) MAPK14KDM4EHPGDHSD17B10PTGS1
SCHEMBL8985288 0.87 MAPK14 (0.67) MAPK14KDM4EHPGDHSD17B10PTGS1
SCHEMBL8985360 0.87 MAPK14 (0.40) MAPK14TTRKDM4EMEN1USP2
SCHEMBL8985251 0.86 MAPK14 (0.47) MAPK14KDM4EALDH1A1LMNAHPGD
SCHEMBL8985412 0.84 MAPK14 (0.59) MAPK14KDM4EMEN1ALDH1A1HPGD
SCHEMBL8985541 0.83 MAPK14 (0.56) MAPK14KDM4EALDH1A1LMNAHPGD
SCHEMBL8985537 0.82 MAPK14 (0.51) MAPK14PTGS1PTGS2NOTUMTDP1
SCHEMBL8985259 0.77 MAPK14 (0.50) MAPK14KDM4EALDH1A1LMNAPTGS1
SCHEMBL7623155 0.77 PTGS1 (0.67) MAPK14KDM4EALDH1A1LMNAHPGD
SCHEMBL8985263 0.76 NOTUM (0.41) MAPK14ALDH1A1PTGS1PTGS2NOTUM

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