SCHEMBL14919031

SCHEMBL14919031

COC(=O)C12CCCC1(C(=O)O)C1CCC2C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SOD1 P00441 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL209243 0.72 CYP2C19 (0.34) NPSR1
SCHEMBL3669479 0.65 NPSR1 (0.39) NPSR1MAPTALDH1A1L3MBTL1SOD1
SCHEMBL230257 0.65 NPSR1 (0.43) NPSR1MAPTALDH1A1L3MBTL1
SCHEMBL31202933 0.64 NPSR1 (0.35) NPSR1MAPT
SCHEMBL2833742 0.64 CYP3A4 (0.44) NPSR1MAPTALDH1A1L3MBTL1SOD1
SCHEMBL20054732 0.63 CYP3A4 (0.50) NPSR1MAPTALDH1A1L3MBTL1
SCHEMBL210214 0.62 CES2 (0.36) MAPTALDH1A1KDM4E
SCHEMBL27797953 0.62 MAPT (0.36) NPSR1MAPT
SCHEMBL27948270 0.62 HSD11B1 (0.33) MAPTALDH1A1L3MBTL1
SCHEMBL2453128 0.62 NPSR1 (0.41) NPSR1MAPTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773609-A2 NICOTINIC RECEPTOR NON-COMPETITIVE MODULATORS Targacept, Inc. (US) 2014-09-10 EP disclosed
WO-2013067105-A2 NICOTINIC RECEPTOR NON-COMPETITIVE MODULATORS TARGACEPT, INC. (US) 2013-05-10 WO disclosed