SCHEMBL14711735

SCHEMBL14711735

C=C1OB(c2ccc(F)c(C#N)c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.38
AR P10275 1/20 0.35
PLA2G7 Q13093 1/20 0.30

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
SCHEMBL12122742 0.89 TRPV4 (0.37) PGR
SCHEMBL13100187 0.87
SCHEMBL14239303 0.82 TRPV4 (0.38) AR
SCHEMBL30375876 0.80 LPL (0.47) PGRARPLA2G7
SCHEMBL1514603 0.80 LPL (0.47) PGRARPLA2G7
SCHEMBL14239237 0.79 AR (0.38) PGRAR
SCHEMBL10081565 0.79 ALDH1A1 (0.42) AR
SCHEMBL3481500 0.79 XDH (0.37)
SCHEMBL10081566 0.78 TRPV4 (0.34) PGRAR
SCHEMBL13675126 0.77 CYP2A6 (0.34)

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-2013024282-A2 COMPOUNDS AND THEIR USES DOMAINEX LIMITED (GB) 2013-02-21 WO disclosed