SCHEMBL8948547

SCHEMBL8948547

CCOC(=O)C1(C)Cc2cc(Cl)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.47
OPRM1 P35372 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 5/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 2/20 0.40
TP53 P04637 1/20 0.40
PPARA Q07869 1/20 0.39
LMNA P02545 3/20 0.39
ABCB11 O95342 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL19469647 0.86 PPARA (0.40) ALPGKMT2AMEN1GAAALDH1A1
SCHEMBL4769228 0.84 ALDH1A1 (0.39) KMT2AMEN1HTTGAAALDH1A1
SCHEMBL30726842 0.81 BRD4 (0.49) OPRM1KMT2AMEN1HTTGAA
SCHEMBL11362870 0.80 PPARA (0.39) ALPGPPARA
SCHEMBL29495290 0.80 PPARA (0.48) ALPGHTTTP53PPARALMNA
SCHEMBL19469461 0.80 PPARA (0.48) ALPGHTTTP53PPARALMNA
SCHEMBL29495503 0.80 PPARA (0.48) ALPGHTTTP53PPARALMNA
SCHEMBL19469463 0.80 PPARA (0.48) ALPGHTTTP53PPARALMNA
SCHEMBL3358621 0.79 BRD4 (0.43) ALPGOPRM1KMT2AMEN1USP2
SCHEMBL4774756 0.77 PPARA (0.34) ALPGKMT2AHTTGAAALDH1A1

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-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed