SCHEMBL8935862

SCHEMBL8935862

Cc1ccc(O[C@H](C(=O)O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
PPARA Q07869 3/20 0.51
PPARG P37231 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRM1 P11229 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
PKM P14618 2/20 0.47
GAA P10253 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SLC6A9 P48067 1/20 0.46
PTPN1 P18031 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8935861 1.00 KDM4E (0.52) KDM4EALDH1A1PPARAPPARGNPSR1
SCHEMBL914217 0.93 PPARG (0.48) KDM4EALDH1A1PPARAPPARGNPSR1
SCHEMBL11577533 0.87 PPARG (0.45) KDM4EALDH1A1PPARAPPARGNPSR1
SCHEMBL13324879 0.87 KDM4E (0.55) KDM4EALDH1A1PPARAPPARGMEN1
SCHEMBL660871 0.87 KDM4E (0.55) KDM4EALDH1A1PPARAPPARGMEN1
SCHEMBL21881586 0.87 KDM4E (0.55) KDM4EALDH1A1PPARAPPARGMEN1
SCHEMBL11577623 0.86 NPSR1 (0.52) ALDH1A1PPARAPPARGNPSR1MEN1
SCHEMBL21881560 0.86 MEN1 (0.58) KDM4EALDH1A1PPARAPPARGNPSR1
SCHEMBL5944601 0.86 MEN1 (0.58) KDM4EALDH1A1PPARAPPARGNPSR1
SCHEMBL3773899 0.85 KDM4E (0.53) KDM4EALDH1A1PPARAPPARGNPSR1

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