SCHEMBL8690347

SCHEMBL8690347

CCCCCOc1ccc(-c2ccccc2C(=O)CC(CCCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.49
PTGES O14684 6/20 0.49
ALOX5 P09917 6/20 0.49
PTPN11 Q06124 4/20 0.45
PPARA Q07869 2/20 0.45
BRS3 P32247 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
RARB P10826 3/20 0.42
FFAR1 O14842 1/20 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
SCHEMBL8690007 0.88 MMP12 (0.50) PPARGALOX5PPARAFFAR1
SCHEMBL6412929 0.87 RARB (0.53) PPARGPTGESALOX5PPARAMEN1
SCHEMBL7377067 0.87 RARB (0.53) PPARGPTGESALOX5PPARAMEN1
SCHEMBL7372219 0.87 RARB (0.53) PPARGPTGESALOX5PPARAMEN1
SCHEMBL6416023 0.86 RARB (0.55) PPARGPTGESALOX5PPARALMNA
SCHEMBL8505435 0.81 PTGES (0.48) PPARGPTGESALOX5PTPN11PPARA
SCHEMBL8688109 0.81 PPARG (0.48) PPARGPPARABRS3
SCHEMBL8041180 0.78 PPARG (0.61) PPARGPTGESALOX5PPARAMEN1
SCHEMBL7353605 0.78 PTGES (0.51) PPARGPTGESALOX5PPARALMNA
SCHEMBL7985219 0.77 LMNA (0.54) PPARGPTGESALOX5PPARALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789434-A ACID, ESTER OR AMIDE DERIVATIVES AS ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS AND REDUCTION OF CARTILAGE DETERIORATION BAYER CORPORATION (US) 1998-08-04 US disclosed