SCHEMBL4978466

SCHEMBL4978466

O=C1SCCN(C(=O)O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.36
PPARG P37231 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NOTUM Q6P988 1/20 0.33
KDM4E B2RXH2 1/20 0.33
INMT O95050 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
SCHEMBL6943936 0.78 ALDH1A1 (0.31) ALDH1A1MAPTKMT2ACYP1A2CYP2C19
SCHEMBL3080090 0.77
SCHEMBL6043847 0.76 ALDH1A1 (0.31) ALDH1A1MAPTKMT2ACYP1A2CYP2C19
SCHEMBL9029196 0.75 LMNA (0.35) ALDH1A1MAPTNPC1PPARGHTT
SCHEMBL6043422 0.74 LMNA (0.34) MAPT
SCHEMBL6042208 0.72 NAAA (0.33) MAPTKMT2A
SCHEMBL16416175 0.72 USP2 (0.38) MAPTKDM4E
SCHEMBL826060 0.71
SCHEMBL2704455 0.65 LMNA (0.37) HTTRAB9A
SCHEMBL3350957 0.64 TSHR (0.46) ALDH1A1MAPTNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP claimed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO claimed
WO-2015011252-A1 PYRIMIDINE-PYRIDINONE SERINE/THREONINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-01-29 WO disclosed
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed