SCHEMBL1820508

SCHEMBL1820508

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
ITGB1 P05556 3/20 0.33
ITGA4 P13612 3/20 0.33
MAPK14 Q16539 1/20 0.32
USP2 O75604 2/20 0.32
TSHR P16473 1/20 0.32
AGTR1 P30556 1/20 0.32
CCKBR P32239 1/20 0.32
MMP8 P22894 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SHMT2 P34897 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
SCHEMBL1818327 1.00 LMNA (0.37) LMNAGAAPOLBNPC1TP53
SCHEMBL1816355 0.94 LMNA (0.38) LMNAGAAPOLBNPC1TP53
SCHEMBL1818531 0.94 LMNA (0.38) LMNAGAAPOLBNPC1TP53
SCHEMBL1819530 0.93 ITGB1 (0.40) ITGB1ITGA4
SCHEMBL7100129 0.93 ITGB1 (0.40) ITGB1ITGA4
SCHEMBL7103721 0.93 LMNA (0.39) LMNAGAAPOLBNPC1TP53
SCHEMBL1819547 0.92 LMNA (0.36) LMNAGAAPOLBNPC1TP53
SCHEMBL1818334 0.92 LMNA (0.36) LMNAGAAPOLBNPC1TP53
SCHEMBL7105091 0.88 ITGB1 (0.38) LMNAGAAPOLBNPC1TP53
SCHEMBL1818203 0.88 ITGB1 (0.38) LMNAGAAPOLBNPC1TP53

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