SCHEMBL1936019

SCHEMBL1936019

CCCCON([C]=O)CC=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ATM Q13315 1/20 0.31
CYP3A4 P08684 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
SCHEMBL9322043 0.78 CYP3A4 (0.33) ATMCYP3A4
SCHEMBL7296925 0.72 DNM1 (0.34) TSHR
SCHEMBL3139537 0.72 CA1 (0.33) TSHR
SCHEMBL7452131 0.71 CA1 (0.35) TSHR
SCHEMBL6131279 0.71 CA1 (0.35) TSHR
SCHEMBL10483577 0.71 CA1 (0.35) TSHR
SCHEMBL7668434 0.70 CYP3A4 (0.37) TSHRATMCYP3A4
SCHEMBL8422500 0.66 ATM (0.38) TSHRATMCYP3A4
SCHEMBL10773593 0.65 TSHR (0.40) TSHR
SCHEMBL4987261 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011527701-A 2011-11-04 JP claimed
EP-2331503-A1 4-PHENOXYMETHYLPIPERIDINES AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-06-15 EP claimed
WO-2010006191-A1 4-PHENOXYMETHYLPIPERIDINES AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-14 WO claimed