SCHEMBL20439397

SCHEMBL20439397

CC(Oc1cc(OCc2ccccc2)ccc1Br)[C@H](NC(=O)OC(C)(C)C)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.43
ACACB O00763 2/20 0.42
PTPN1 P18031 2/20 0.42
HDAC8 Q9BY41 1/20 0.41
LTA4H P09960 1/20 0.40
ALOX5 P09917 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
PPARA Q07869 1/20 0.40
REN P00797 1/20 0.40

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
SCHEMBL20439399 1.00 BCL2 (0.43) BCL2ACACBPTPN1HDAC8LTA4H
SCHEMBL5354486 0.83 BCL2 (0.44) BCL2ACACBPTPN1HDAC8LTA4H
SCHEMBL20439435 0.83 BCL2 (0.44) BCL2ACACBPTPN1HDAC8LTA4H
SCHEMBL20425274 0.81 BCL2 (0.50) BCL2ACACBPTPN1LTA4HALOX5
SCHEMBL20439387 0.81 BCL2 (0.50) BCL2ACACBPTPN1LTA4HALOX5
SCHEMBL20439315 0.79 PTPN1 (0.41) BCL2ACACBPTPN1HDAC8LTA4H
SCHEMBL20439384 0.78 PTPN1 (0.43) BCL2PTPN1MEN1KMT2APRKCA
SCHEMBL30703570 0.76 BCL2 (0.51) BCL2ACACBPTPN1LTA4HALOX5
SCHEMBL191550 0.74 ATM (0.55) BCL2ACACBPTPN1LTA4HPRKCA
SCHEMBL191549 0.74 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