SCHEMBL7284963

SCHEMBL7284963

COC(=O)C[C@@H]1C[C@@H](C(N)C(=O)c2ccc([C@H]3CC[C@H](N)CC3)cc2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.34
TP53 P04637 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34

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
SCHEMBL7283079 1.00 MDM2 (0.34) MDM2TP53SPHK1
SCHEMBL7281636 0.92 MDM2 (0.37) MDM2TP53
SCHEMBL7284736 0.92 MDM2 (0.37) MDM2TP53
SCHEMBL7275916 0.91 ALDH1A1 (0.36) MDM2TP53SPHK1
SCHEMBL7282690 0.91 ALDH1A1 (0.36) MDM2TP53SPHK1
SCHEMBL7280923 0.84 ALDH1A1 (0.37) MDM2TP53
SCHEMBL7274705 0.82 MCHR1 (0.37)
SCHEMBL7283087 0.82 KDM1A (0.39)
SCHEMBL7283082 0.82 KDM1A (0.39)
SCHEMBL7284971 0.82 KDM1A (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed