SCHEMBL7684658

SCHEMBL7684658

CC(C)CC(CC(=O)O)NC(=O)CN1CCN(c2ccc(C#N)cc2)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 11/20 0.43
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
PANK3 Q9H999 1/20 0.38
CTSL P07711 4/20 0.37
CTSB P07858 4/20 0.37
CTSS P25774 4/20 0.37
CTSK P43235 4/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL7448038 0.84 ALDH1A1 (0.43) EP300LMNAPOLB
SCHEMBL7449631 0.84 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7660300 0.80 CCR5 (0.42) EP300CTSSCTSKPOLB
SCHEMBL7377259 0.79 POLB (0.48) EP300ITGB3ITGA2BPANK3CTSS
SCHEMBL7451025 0.79 ITGB3 (0.46) EP300ITGB3ITGA2BCTSSCTSK
SCHEMBL7651092 0.78 EP300 (0.44) EP300ITGB3ITGA2BPOLB
SCHEMBL7662909 0.76 EP300 (0.42) EP300POLB
SCHEMBL7450039 0.76 ITGB3 (0.45) EP300ITGB3ITGA2BLMNA
SCHEMBL7651456 0.74 EP300 (0.42) EP300ITGB3ITGA2BPANK3CTSS
SCHEMBL7662931 0.74 ITGB3 (0.41) ITGB3ITGA2BLMNA

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-6344456-B1 ANTICOAGULANTS LABORATOIRE L. LAFON (FR) 2002-02-05 US disclosed