SCHEMBL7103777

SCHEMBL7103777

CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)c1ccccc1)N1C(=O)N(Cc2ccc(NC(=O)Nc3ccccc3)cc2)C2(CCCC2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ITGB1 P05556 13/20 0.36
ITGA4 P13612 13/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
MMP9 P14780 1/20 0.35
MMP8 P22894 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
SCHEMBL1820746 0.99 LMNA (0.37) LMNAITGB3ITGAVITGB1ITGA4
SCHEMBL7107550 0.99 LMNA (0.37) LMNAITGB3ITGAVITGB1ITGA4
SCHEMBL7107727 0.94 ITGB1 (0.44) ITGB1ITGA4
Tromethamine SCHEMBL7102384 0.94 ITGB1 (0.34) LMNAITGB3ITGAVITGB1ITGA4
SCHEMBL1820303 0.94 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL7100811 0.94 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL1818334 0.93 LMNA (0.36) LMNAITGB1ITGA4GAANPC1
SCHEMBL1819547 0.93 LMNA (0.36) LMNAITGB1ITGA4GAANPC1
SCHEMBL7105287 0.93 ITGB1 (0.40) ITGB1ITGA4NPC1POLBRAB9A
SCHEMBL7416413 0.93 ITGB1 (0.40) ITGB1ITGA4NPC1POLBRAB9A

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-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