SCHEMBL8037760

SCHEMBL8037760

C[C@@H](OC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](N)C(=O)OC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
FABP5 Q01469 3/20 0.39
FABP7 O15540 2/20 0.39
EPHX2 P34913 1/20 0.38
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37
CASP3 P42574 2/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 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
SCHEMBL2817872 0.88 KMT2A (0.42) KMT2AFABP5FABP7EPHX2MDM4
SCHEMBL20184843 0.82 KMT2A (0.47) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL27960451 0.82 KMT2A (0.47) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL8035578 0.80 KMT2A (0.41) KMT2AFABP5FABP7EPHX2MDM4
SCHEMBL30341743 0.80 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL1738680 0.76 MDM4 (0.49) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL30785203 0.76 MDM4 (0.49) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL28341996 0.76 MDM4 (0.49) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL8037756 0.76 MDM4 (0.49) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL3439365 0.75 CASP3 (0.48) KMT2AEPHX2MDM4TP53CASP3

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
EP-0989136-A1 PEPTIDES HAVING CYCLIC STRUCTURES AND EXERTING P53 PROTEIN ACTIVTY-RESTORING EFFECT ON P53 PROTEIN MUTANTS KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-03-29 EP disclosed