SCHEMBL1816355

SCHEMBL1816355

CC(C)C[C@@H](C(=O)N[C@H](C)CC(=O)O)N1C(=O)N(Cc2ccc(NC(=O)Nc3ccccc3)cc2)C2(CCCCC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
ITGB1 P05556 13/20 0.35
ITGA4 P13612 13/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL1818531 1.00 LMNA (0.38) LMNAGAANPC1TP53POLB
SCHEMBL7103721 0.99 LMNA (0.39) LMNAGAANPC1TP53POLB
SCHEMBL7382602 0.94 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7100078 0.94 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL1821102 0.94 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL1820508 0.94 LMNA (0.37) LMNAGAANPC1TP53POLB
SCHEMBL1818327 0.94 LMNA (0.37) LMNAGAANPC1TP53POLB
SCHEMBL7103788 0.93 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL1818203 0.93 ITGB1 (0.38) LMNAGAANPC1TP53POLB
SCHEMBL7105091 0.93 ITGB1 (0.38) LMNAGAANPC1TP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4686029-B2 2011-05-18 JP claimed
EP-1183241-B1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA GMBH (DE) 2003-09-17 EP claimed
JP-2002544261-A 2002-12-24 JP claimed
US-6399643-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-04 US claimed
EP-1183241-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2002-03-06 EP claimed
WO-2000069831-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-23 WO claimed
EP-1183241-B1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA GMBH (DE) 2003-09-17 EP disclosed
US-6399643-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-04 US disclosed
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