SCHEMBL20007988

SCHEMBL20007988

O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CCC(O)(CO)C1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 18/20 0.58
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL20003550 1.00 TRPV4 (0.58) TRPV4MEN1ALDH1A1TSHRKMT2A
SCHEMBL20003548 0.87 TRPV4 (0.52) TRPV4MEN1ALDH1A1TSHRKMT2A
SCHEMBL30266709 0.87 TRPV4 (0.52) TRPV4MEN1ALDH1A1TSHRKMT2A
SCHEMBL20003707 0.87 TRPV4 (0.52) TRPV4MEN1ALDH1A1TSHRKMT2A
SCHEMBL20003562 0.85 TRPV4 (0.51) TRPV4ALDH1A1
SCHEMBL20007654 0.85 TRPV4 (0.41) TRPV4MEN1ALDH1A1TSHRKMT2A
SCHEMBL23613871 0.84 TRPV4 (0.60) TRPV4
SCHEMBL20003518 0.84 TRPV4 (0.60) TRPV4
SCHEMBL20003616 0.84 TRPV4 (0.60) TRPV4
SCHEMBL23613832 0.84 TRPV4 (0.57) 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-2018055527-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed