SCHEMBL20007654

SCHEMBL20007654

O=S(=O)(c1c(Cl)cc(C(F)(F)F)cc1Cl)N1CC[C@](O)(CO)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 11/20 0.41
SPR P35270 1/20 0.41
CYP2D6 P10635 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FPR2 P25090 4/20 0.37
PROKR1 Q8TCW9 4/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL20007988 0.85 TRPV4 (0.58) TRPV4ALDH1A1MEN1TSHRKMT2A
SCHEMBL20003550 0.85 TRPV4 (0.58) TRPV4ALDH1A1MEN1TSHRKMT2A
SCHEMBL20003548 0.76 TRPV4 (0.52) TRPV4ALDH1A1MEN1TSHRKMT2A
SCHEMBL20003707 0.76 TRPV4 (0.52) TRPV4ALDH1A1MEN1TSHRKMT2A
SCHEMBL23176162 0.75 PKM (0.54) TRPV4
SCHEMBL20007244 0.74 TRPV4 (0.46) TRPV4L3MBTL1
SCHEMBL20003562 0.73 TRPV4 (0.51) TRPV4SPRALDH1A1SMN1; SMN2
SCHEMBL20007296 0.73 TRPV4 (0.57) TRPV4
SCHEMBL23613832 0.73 TRPV4 (0.57) TRPV4
SCHEMBL23613871 0.72 TRPV4 (0.60) TRPV4

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