SCHEMBL20007244

SCHEMBL20007244

O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CC[C@](O)(CO)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.46
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
PRCP P42785 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CXCR3 P49682 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.37
PPARD Q03181 1/20 0.36
CCR6 P51684 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
SCHEMBL20007693 0.83 TRPV4 (0.41) TRPV4CXCR3POLB
SCHEMBL23613990 0.83 TRPV4 (0.41) TRPV4CXCR3POLB
SCHEMBL20007811 0.79 TRPV4 (0.41) TRPV4
SCHEMBL20007310 0.79 TRPV4 (0.49) TRPV4CCR6
SCHEMBL30266709 0.79 TRPV4 (0.52) TRPV4PKML3MBTL1
SCHEMBL20003548 0.79 TRPV4 (0.52) TRPV4PKML3MBTL1
SCHEMBL20007247 0.79 TRPV4 (0.46) TRPV4PSEN1PSEN2APH1BNCSTN
SCHEMBL20007703 0.77 TRPV4 (0.43) TRPV4GAA
SCHEMBL20003707 0.77 TRPV4 (0.52) TRPV4L3MBTL1
SCHEMBL20007988 0.76 TRPV4 (0.58) TRPV4L3MBTL1

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