SCHEMBL8935857

SCHEMBL8935857

CC(C)[C@H](Oc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.62
PPARA Q07869 9/20 0.62
GAA P10253 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
PKM P14618 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 2/20 0.47
TP53 P04637 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
PTGS1 P23219 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MMP9 P14780 1/20 0.44
TSHR P16473 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
SCHEMBL8846721 1.00 PPARG (0.62) PPARGPPARAGAACYP1A2CYP2C9
SCHEMBL17904962 1.00 PPARG (0.62) PPARGPPARAGAACYP1A2CYP2C9
SCHEMBL7966234 0.90 CYP1A2 (0.71) PPARGPPARAGAACYP1A2CYP2C9
SCHEMBL1933913 0.87 CYP1A2 (0.53) PPARGPPARAGAACYP1A2CYP2C9
SCHEMBL11322441 0.87 CYP1A2 (0.53) PPARGPPARAGAACYP1A2CYP2C9
SCHEMBL11715391 0.86 TAS1R3 (0.55) PPARGPPARAGAACYP1A2CYP2C9
SCHEMBL11708010 0.86 PPARG (0.53) PPARGPPARAGAACYP1A2CYP2C9
SCHEMBL11519130 0.86 PPARG (0.53) PPARGPPARAGAACYP1A2CYP2C9
SCHEMBL27450538 0.86 GAA (0.55) PPARGPPARAGAACYP1A2CYP2C9
SCHEMBL4744796 0.86 GAA (0.55) PPARGPPARAGAACYP1A2CYP2C9

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-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed