SCHEMBL7899427

SCHEMBL7899427

CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NO

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.61
KMT2A Q03164 2/20 0.50
EPHX2 P34913 1/20 0.47
PIN1 Q13526 1/20 0.47
MDM4 O15151 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL17020410 0.88 CASP3 (0.62) CASP3KMT2AEPHX2PIN1
SCHEMBL29068310 0.88 CASP3 (0.64) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL29068308 0.88 CASP3 (0.64) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL31697682 0.87 CASP3 (0.60) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL13044090 0.87 CASP3 (0.58) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL120703 0.87 CASP3 (0.60) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL2591012 0.87 CASP3 (0.58) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL10173305 0.87 CASP3 (0.58) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL799720 0.87 CASP3 (0.60) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL178791 0.87 CASP3 (0.60) CASP3KMT2AEPHX2PIN1MDM4

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
US-6184345-B1 STABLE UNDER SOLID PHASE SYNTHESIS CONDITIONS PEPTOR LIMITED (IL) 2001-02-06 US disclosed
EP-1037904-A2 BRANCHED BUILDING UNITS FOR SYNTHESIZING CYCLIC PEPTIDES PEPTOR LTD (IL) 2000-09-27 EP disclosed
WO-1999031121-A2 BRANCHED BUILDING UNITS FOR SYNTHESIZING CYCLIC PEPTIDES PEPTOR LTD. (IL) 1999-06-24 WO disclosed