SCHEMBL6801344

SCHEMBL6801344

CC(C)(C)C(Sc1ccccc1)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.52
KMT2A Q03164 2/20 0.45
MDM4 O15151 2/20 0.43
TP53 P04637 2/20 0.43
SLC17A5 Q9NRA2 1/20 0.41
EPHX2 P34913 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
SCHEMBL6795994 0.84 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119533 0.84 CASP3 (0.61) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29401028 0.84 CASP3 (0.61) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL3201847 0.84 CASP3 (0.61) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL31045969 0.84 CASP3 (0.61) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119762 0.84 CASP3 (0.61) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL377860 0.80 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119194 0.80 CASP3 (0.55) CASP3KMT2AMDM4TP53SLC17A5
SCHEMBL30089284 0.80 CASP3 (0.55) CASP3KMT2AMDM4TP53SLC17A5
SCHEMBL25262883 0.79 CASP3 (0.59) CASP3KMT2AMDM4TP53EPHX2

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-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed