SCHEMBL20439387

SCHEMBL20439387

CC(O)[C@H](NC(=O)OC(C)(C)C)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.50
ACACB O00763 1/20 0.50
PTPN1 P18031 1/20 0.48
GPR88 Q9GZN0 1/20 0.48
ALOX5 P09917 1/20 0.48
LTA4H P09960 1/20 0.47
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
PPARA Q07869 1/20 0.47
REN P00797 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL20425274 1.00 BCL2 (0.50) BCL2ACACBPTPN1GPR88ALOX5
SCHEMBL20425136 0.85 LMNA (0.56) ACACBGPR88ALOX5LTA4HLMNA
SCHEMBL3350991 0.85 PTPN1 (0.50) BCL2ACACBPTPN1ALOX5LTA4H
SCHEMBL30703570 0.85 BCL2 (0.51) BCL2ACACBPTPN1GPR88ALOX5
SCHEMBL13211538 0.84 CTSK (0.52) GPR88PPARA
SCHEMBL16622532 0.84 CTSK (0.52) GPR88PPARA
SCHEMBL1908632 0.84 CTSK (0.52) GPR88PPARA
SCHEMBL4731613 0.84 CTSK (0.52) GPR88PPARA
SCHEMBL191549 0.83 ATM (0.55) BCL2ACACBPTPN1LTA4HPRKCA
SCHEMBL191550 0.83 ATM (0.55) BCL2ACACBPTPN1LTA4HPRKCA

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
WO-2018138739-A1 NOVEL ANTIESTROGENIC HETEROCYCLIC COMPOUNDS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2018-08-02 WO disclosed