SCHEMBL15569743

SCHEMBL15569743

CC(C)(C)OC(=O)C[C@H](CSc1ccccc1)NC(=O)OC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.40
KMT2A Q03164 2/20 0.39
MDM2 Q00987 1/20 0.37
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35

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
SCHEMBL15569741 1.00 CASP3 (0.40) CASP3KMT2AMDM2MDM4TP53
SCHEMBL1956272 0.93 CASP3 (0.46) CASP3KMT2AMDM2MDM4TP53
SCHEMBL1956271 0.93 CASP3 (0.46) CASP3KMT2AMDM2MDM4TP53
SCHEMBL119715 0.80 CASP3 (0.55) CASP3KMT2AMDM2MDM4TP53
SCHEMBL14265316 0.80 CASP3 (0.55) CASP3KMT2AMDM2MDM4TP53
SCHEMBL29402145 0.80 CASP3 (0.55) CASP3KMT2AMDM2MDM4TP53
SCHEMBL1955384 0.79 CASP3 (0.54) CASP3KMT2AMDM4TP53
SCHEMBL2948034 0.79 CASP3 (0.54) CASP3KMT2AMDM4TP53
SCHEMBL29424533 0.79 CASP3 (0.54) CASP3KMT2AMDM4TP53
SCHEMBL29400295 0.78 CASP3 (0.48) CASP3KMT2AMDM2MDM4TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2882439-B1 APOPTOSIS-INDUCING AGENTS ABBVIE INC (US) 2018-04-11 EP disclosed
EP-2882439-A1 APOPTOSIS-INDUCING AGENTS AbbVie Inc. (US) 2015-06-17 EP disclosed
WO-2014028381-A1 APOPTOSIS-INDUCING AGENTS ABBVIE INC. (US) 2014-02-20 WO disclosed