SCHEMBL1818334

SCHEMBL1818334

CC(C)C[C@@H](C(=O)N[C@@H](CC(N)=O)c1ccccc1)N1C(=O)N(Cc2ccc(NC(=O)Nc3ccccc3)cc2)C2(CCCCC2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
ITGB1 P05556 8/20 0.35
ITGA4 P13612 8/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
NR3C2 P08235 1/20 0.32

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
SCHEMBL1819547 1.00 LMNA (0.36) LMNAITGB1ITGA4GAANPC1
SCHEMBL7107550 0.94 LMNA (0.37) LMNAITGB1ITGA4GAANPC1
SCHEMBL1820746 0.94 LMNA (0.37) LMNAITGB1ITGA4GAANPC1
SCHEMBL7103777 0.93 LMNA (0.37) LMNAITGB1ITGA4GAANPC1
SCHEMBL1820508 0.92 LMNA (0.37) LMNAITGB1ITGA4GAANPC1
SCHEMBL1818327 0.92 LMNA (0.37) LMNAITGB1ITGA4GAANPC1
Tromethamine SCHEMBL7102384 0.90 ITGB1 (0.34) LMNAITGB1ITGA4GAANPC1
SCHEMBL7100811 0.88 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL1820303 0.88 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL6934947 0.88 GAA (0.37) LMNAITGB1ITGA4GAANPC1

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