SCHEMBL6162555

SCHEMBL6162555

COc1cc(CN2C(=O)N(C(CC3CC3)C(=O)NC(C)CC(=O)O)C(=O)C2(C)C)ccc1NC(=O)Nc1ccccc1C.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 17/20 0.46
ITGB1 P05556 16/20 0.46
CHEK1 O14757 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 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
SCHEMBL6162542 1.00 ITGA4 (0.46) ITGA4ITGB1CHEK1MEN1MAPT
SCHEMBL26547102 0.99 ITGA4 (0.46) ITGA4ITGB1CHEK1MEN1MAPT
SCHEMBL4671585 0.99 ITGA4 (0.46) ITGA4ITGB1CHEK1MEN1MAPT
SCHEMBL4671581 0.99 ITGA4 (0.46) ITGA4ITGB1CHEK1MEN1MAPT
SCHEMBL6162561 0.99 ITGA4 (0.46) ITGA4ITGB1CHEK1MEN1MAPT
SCHEMBL6163474 0.93 ITGA4 (0.41) ITGA4ITGB1CHEK1MEN1MAPT
SCHEMBL6163467 0.93 ITGA4 (0.41) ITGA4ITGB1CHEK1MEN1MAPT
SCHEMBL6162548 0.93 ITGA4 (0.40) ITGA4ITGB1CHEK1MEN1MAPT
SCHEMBL6166269 0.92 ITGB1 (0.40) ITGA4ITGB1CHEK1MEN1MAPT
SCHEMBL6166262 0.92 ITGB1 (0.40) ITGA4ITGB1CHEK1MEN1MAPT

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
EP-1373249-B1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTIINFLAMATORY AGENT AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
EP-1373249-A1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP disclosed
WO-2002072573-A1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-09-19 WO disclosed