SCHEMBL6559262

SCHEMBL6559262

COC(=O)c1ccc2c(c1)C(NS(C)(=O)=O)CC(C)(C)O2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.43
KCNA5 P22460 1/20 0.42
SIRT2 Q8IXJ6 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.38
SIRT1 Q96EB6 3/20 0.38
ALOX5 P09917 1/20 0.38
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL6559931 0.89 KCNA5 (0.44) TRPV1KCNA5SIRT2SMN1; SMN2KDM4E
SCHEMBL6561146 0.88 KCNA5 (0.41) TRPV1KCNA5SIRT2SMN1; SMN2RAB9A
SCHEMBL6558679 0.88 HPGD (0.41) TRPV1KCNA5SIRT2SMN1; SMN2KDM4E
SCHEMBL6558681 0.84 KCNA5 (0.42) TRPV1KCNA5SIRT2SMN1; SMN2KDM4E
SCHEMBL6559916 0.80 TRPV1 (0.42) TRPV1KCNA5SIRT2SIRT1
SCHEMBL6559277 0.80 KCNE1 (0.40) SMN1; SMN2KDM4EHSD17B10RAB9ANPC1
SCHEMBL6561155 0.79 RAB9A (0.43) SIRT2SMN1; SMN2KDM4EHSD17B10RAB9A
SCHEMBL6558734 0.79 TRPV1 (0.39) TRPV1KCNA5SIRT2SMN1; SMN2KDM4E
SCHEMBL6559265 0.78 TRPV1 (0.38) TRPV1KCNA5SIRT2SMN1; SMN2RAB9A
SCHEMBL6559316 0.78 TRPV1 (0.38) TRPV1KCNA5SIRT2SMN1; SMN2RAB9A

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
EP-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed