SCHEMBL3640235

SCHEMBL3640235

CS(=O)(=O)c1ccc(N2CCCCC2CC(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.44
EPHX1 P07099 1/20 0.42
NOS2 P35228 1/20 0.42
PPARG P37231 1/20 0.41
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL6883859 0.81 FFAR1 (0.56) FFAR1PPARG
SCHEMBL5776667 0.75 GPR119 (0.51) CTSBCTSSCTSK
SCHEMBL12921148 0.74 FFAR1 (0.48) FFAR1PPARG
Hydrochloric Acid SCHEMBL4616077 0.72 FFAR1 (0.53) FFAR1PPARGKMT2AEPHX2
SCHEMBL14343702 0.71 CA2 (0.46)
SCHEMBL14343700 0.71 CA2 (0.46)
SCHEMBL5651128 0.69 FFAR1 (0.70) FFAR1PPARG
SCHEMBL31331184 0.68 FFAR1 (0.44) FFAR1PPARG
Hydrochloric Acid SCHEMBL4055966 0.68 FFAR1 (0.68) FFAR1PPARG
SCHEMBL4536683 0.68 FFAR1 (0.33) FFAR1

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-2164491-A1 PIPERIDINE-4-ACETIC ACID DERIVATIVES AND THEIR USE Euroscreen S.A. (BE) 2010-03-24 EP disclosed
WO-2009010477-A1 PIPERIDINE-4-ACETIC ACID DERIVATIVES AND THEIR USE EUROSCREEN S.A. (BE) 2009-01-22 WO disclosed