SCHEMBL6561146

SCHEMBL6561146

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.41
SIRT2 Q8IXJ6 6/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
SIRT1 Q96EB6 3/20 0.38
TRPV1 Q8NER1 5/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
CTSD P07339 2/20 0.36
BACE1 P56817 2/20 0.36
ALOX5 P09917 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.35
IDO1 P14902 1/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6559262 0.88 TRPV1 (0.43) KCNA5SIRT2SIRT1TRPV1RAB9A
SCHEMBL6559931 0.86 KCNA5 (0.44) KCNA5SIRT2SIRT1TRPV1RAB9A
SCHEMBL6558679 0.85 HPGD (0.41) KCNA5SIRT2SIRT1TRPV1RAB9A
SCHEMBL6558681 0.81 KCNA5 (0.42) KCNA5SIRT2TRPV1RAB9ASMN1; SMN2
SCHEMBL6559826 0.79 SMN1; SMN2 (0.36) KCNA5SIRT2CA12CA9SIRT1
SCHEMBL6561155 0.77 RAB9A (0.43) SIRT2CA12CA9RAB9ASMN1; SMN2
SCHEMBL6558734 0.76 TRPV1 (0.39) KCNA5SIRT2SIRT1TRPV1RAB9A
SCHEMBL6559265 0.75 TRPV1 (0.38) KCNA5SIRT2SIRT1TRPV1RAB9A
SCHEMBL6559316 0.75 TRPV1 (0.38) KCNA5SIRT2SIRT1TRPV1RAB9A
SCHEMBL6559277 0.75 KCNE1 (0.40) CA12CA9RAB9ASMN1; SMN2NPC1

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