SCHEMBL8935672

SCHEMBL8935672

CC[C@](C)(Oc1ccc(C)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.60
PPARA Q07869 14/20 0.56
PPARG P37231 6/20 0.56
OPRK1 P41145 1/20 0.48
PPARD Q03181 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
FABP2 P12104 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
ABCB11 O95342 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL8935669 1.00 ADORA3 (0.60) ADORA3PPARAPPARGOPRK1PPARD
SCHEMBL11548490 0.87 ADORA3 (0.61) ADORA3PPARAPPARGOPRK1CYP1A2
SCHEMBL13846158 0.86 ADORA3 (0.60) ADORA3PPARAPPARGOPRK1LMNA
SCHEMBL5141872 0.86 ADORA3 (0.60) ADORA3PPARAPPARGOPRK1CYP1A2
SCHEMBL5369095 0.86 ADORA3 (0.60) ADORA3PPARAPPARGOPRK1CYP1A2
SCHEMBL5367947 0.86 ADORA3 (0.60) ADORA3PPARAPPARGOPRK1CYP1A2
SCHEMBL1960387 0.85 PPARG (0.62) ADORA3PPARAPPARGOPRK1CYP1A2
SCHEMBL2555820 0.84 ADORA3 (0.58) ADORA3PPARAPPARGOPRK1CYP1A2
SCHEMBL10151372 0.84 ADORA3 (0.58) ADORA3PPARAPPARGOPRK1L3MBTL1
SCHEMBL2106690 0.84 ADORA3 (0.58) ADORA3PPARAPPARGOPRK1PPARD

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