SCHEMBL20007225

SCHEMBL20007225

COc1ccc(S(=O)(=O)N2CCC(O)(C(C)O)C2)c(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 13/20 0.44
PKM P14618 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPM8 Q7Z2W7 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.38
KCNH2 Q12809 1/20 0.36
LMNA P02545 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
SCHEMBL20007659 0.86 SPR (0.46) TRPV4PKM
SCHEMBL20007658 0.85 TRPV4 (0.50) TRPV4TRPM8KCNH2
SCHEMBL30266589 0.73 TRPV4 (0.59) TRPV4KCNH2
SCHEMBL21144237 0.73 TRPV4 (0.59) TRPV4KCNH2
SCHEMBL20007224 0.73 TRPV4 (0.59) TRPV4KCNH2
Hydrochloric Acid SCHEMBL28302865 0.67 NPC1 (0.43) SMN1; SMN2L3MBTL1
SCHEMBL19995428 0.67 TRPV4 (0.79) TRPV4KCNH2
SCHEMBL29355552 0.67 TRPV4 (0.79) TRPV4KCNH2
SCHEMBL23424526 0.67 TRPV4 (0.63) TRPV4TRPM8KCNH2
SCHEMBL29948946 0.67 TRPV4 (0.63) TRPV4TRPM8KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed