Sugi Predict

Sugi Predict / Compounds / SCHEMBL7382803

SCHEMBL7382803

SCHEMBL7382803

COc1cc(CN2C(=O)N([C@@H](CC(C)C)C(=O)NC(CC(=O)O)c3ccc(OC)c(OC)c3)C(=O)C23CCCCC3)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 18/20 0.45
▸ ITGA4 P13612 18/20 0.45
▸ POLB P06746 1/20 0.37
▸ ATM Q13315 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
SCHEMBL1817892 1.00 ITGB1 (0.45) ITGB1ITGA4POLBATM
SCHEMBL1825903 1.00 ITGB1 (0.45) ITGB1ITGA4POLBATM
Tromethamine SCHEMBL1820966 0.95 ITGB1 (0.41) ITGB1ITGA4POLB
SCHEMBL7417699 0.94 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL7101082 0.94 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL7102059 0.94 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL7099781 0.93 ITGB1 (0.49) ITGB1ITGA4
Tromethamine SCHEMBL1822020 0.90 ITGB1 (0.46) ITGB1ITGA4
SCHEMBL1825542 0.89 ITGB1 (0.42) ITGB1ITGA4POLBATM
SCHEMBL7384383 0.89 ITGB1 (0.42) ITGB1ITGA4POLBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183241-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2002-03-06 — — EP disclosed
WO-2000069831-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-23 — — WO disclosed