SCHEMBL7100820

SCHEMBL7100820

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CALCRL Q16602 1/20 0.36
MAPK14 Q16539 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
AGTR1 P30556 1/20 0.36

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
SCHEMBL7106166 0.92 ITGB1 (0.45)
SCHEMBL1816355 0.88 LMNA (0.38) POLBNPC1TP53RAB9ALMNA
SCHEMBL1818531 0.88 LMNA (0.38) POLBNPC1TP53RAB9ALMNA
SCHEMBL1818203 0.87 ITGB1 (0.38) POLBNPC1TP53RAB9ALMNA
SCHEMBL7105091 0.87 ITGB1 (0.38) POLBNPC1TP53RAB9ALMNA
SCHEMBL7103721 0.87 LMNA (0.39) POLBNPC1TP53RAB9ALMNA
SCHEMBL1818327 0.87 LMNA (0.37) POLBNPC1TP53RAB9AUSP2
SCHEMBL1820508 0.87 LMNA (0.37) POLBNPC1TP53RAB9AUSP2
SCHEMBL7100764 0.86 ITGB1 (0.38) POLBNPC1TP53RAB9ALMNA
SCHEMBL7107550 0.86 LMNA (0.37) POLBNPC1TP53RAB9ALMNA

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