SCHEMBL29265199

SCHEMBL29265199

CCC(=O)N1CCC(CS(=O)(=O)OC)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.42
ALDH1A1 P00352 4/20 0.41
EPHX1 P07099 2/20 0.40
NPC1 O15118 1/20 0.39
GNAI3 P08754 2/20 0.38
GNAO1 P09471 2/20 0.38
GNAI1 P63096 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL23277543 0.83 EPHX2 (0.38) EPHX2ALDH1A1EPHX1
SCHEMBL4487574 0.82 EPHX2 (0.51) EPHX2ALDH1A1EPHX1NPC1GNAI3
SCHEMBL29265195 0.79 MAPT (0.48) ALDH1A1
SCHEMBL28429128 0.78 TEAD1 (0.45) ALDH1A1
SCHEMBL29201782 0.78 BPTF (0.55) EPHX2ALDH1A1EPHX1
SCHEMBL7442420 0.77 GPR119 (0.49) EPHX1
SCHEMBL12396094 0.76 EPHX2 (0.46) EPHX2ALDH1A1EPHX1NPC1GNAI3
SCHEMBL28381486 0.75 NCF1 (0.43) ALDH1A1GNAI3GNAO1GNAI1CHRM2
SCHEMBL16077702 0.75 EPHX2 (0.51) EPHX2ALDH1A1EPHX1NPC1GNAI3
SCHEMBL22557067 0.74 EPHX2 (0.42) EPHX2ALDH1A1EPHX1GNAI3GNAO1

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
CN-113766953-B N-acyl- {4- [ (4-aryl-phenyl) sulfonylmethyl ] piperidine } compounds and their therapeutic uses 现代生物科学有限公司 2024-07-02 CN disclosed
CN-113766953-A N-acyl- {4- [ (4-aryl-phenyl) sulfonylmethyl ] piperidine } compounds and their therapeutic use 现代生物科学有限公司 2021-12-07 CN disclosed