SCHEMBL20439367

SCHEMBL20439367

COC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
EPHX2 P34913 1/20 0.51
CASP3 P42574 4/20 0.48
MDM4 O15151 1/20 0.44
TP53 P04637 1/20 0.44
SLC17A5 Q9NRA2 1/20 0.43

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
SCHEMBL31734716 0.89 KMT2A (0.52) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL31121697 0.89 KMT2A (0.52) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL29929040 0.89 KMT2A (0.52) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL6507736 0.89 KMT2A (0.52) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL6629894 0.89 KMT2A (0.52) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL6854697 0.87 CASP3 (0.50) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL1827314 0.85 CASP3 (0.51) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL14951948 0.84 KMT2A (0.45) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL3580924 0.82 CASP3 (0.50) KMT2ACASP3MDM4TP53
SCHEMBL7984402 0.81 MDM4 (0.52) KMT2AEPHX2CASP3MDM4TP53

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