SCHEMBL1744968

SCHEMBL1744968

CCC(Sc1ccc(OC)cc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.66
PPARG P37231 8/20 0.53
PPARA Q07869 8/20 0.53
ALOX5 P09917 6/20 0.53
PTGES O14684 4/20 0.50
POLB P06746 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
RECQL P46063 1/20 0.49
LDHA P00338 1/20 0.49
RAB9A P51151 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1C1 Q04828 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL8473308 0.88 AKR1C3 (0.57) HTTPPARGPPARAALOX5ALDH1A1
SCHEMBL7345917 0.84 PPARG (0.72) PPARGPPARAALOX5PTGES
SCHEMBL6934157 0.84 LMNA (0.55) HTTPPARGPPARAALOX5PTGES
SCHEMBL6930527 0.83 PPARG (0.67) PPARGPPARAALOX5PTGES
SCHEMBL6935114 0.82 PPARG (0.65) PPARGPPARAALOX5PTGESMMP9
SCHEMBL728315 0.81 ALDH1A1 (0.71) HTTPPARGPPARAALOX5POLB
SCHEMBL1747654 0.81 HTT (0.72) HTTPPARGPPARAALOX5PTGES
SCHEMBL19501967 0.81 HTT (0.72) HTTPPARGPPARAALOX5PTGES
SCHEMBL1931269 0.80 HTT (0.71) HTTPPARGPPARAALOX5PTGES
SCHEMBL9099120 0.80 HTT (0.71) HTTPPARGPPARAALOX5PTGES

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
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed