SCHEMBL8947205

SCHEMBL8947205

C=CC(OC(C)=O)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
ALDH1A1 P00352 3/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
MMP13 P45452 1/20 0.39
SRD5A2 P31213 1/20 0.39
CYP3A4 P08684 1/20 0.39
HNF4A P41235 1/20 0.39
MMP12 P39900 1/20 0.38
LTA4H P09960 1/20 0.38
TSHR P16473 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CFD P00746 1/20 0.37
IDH1 O75874 1/20 0.36

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
SCHEMBL61038 0.86 CYP3A4 (0.50) LMNAALDH1A1CYP3A4TSHR
SCHEMBL9642843 0.83 PTGS2 (0.46) ACACBACACAALDH1A1CYP3A4MMP12
SCHEMBL9472147 0.81 CYP3A4 (0.46) LMNAALDH1A1CYP3A4TSHR
SCHEMBL7948698 0.79 CYP3A4 (0.44) LMNAALDH1A1SRD5A2CYP3A4TSHR
SCHEMBL29034776 0.76 TPMT (0.35) ACACBALDH1A1CYP3A4TSHR
SCHEMBL27628648 0.76 CYP1A2 (0.44) LMNAALDH1A1CYP3A4TSHR
SCHEMBL29034768 0.75 MAPT (0.44) LMNAACACBALDH1A1CYP3A4
1'-Acetoxychavicol Acetate SCHEMBL17454871 0.75 LMNA (0.47) LMNAALDH1A1CYP3A4TSHR
1'-Acetoxychavicol Acetate SCHEMBL3673490 0.75 LMNA (0.47) LMNAALDH1A1CYP3A4TSHR
SCHEMBL8947004 0.75 ACACB (0.52) ACACBACACAALDH1A1PPARGPPARA

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-5567841-A ANTICHOLESTEROL AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-22 US disclosed