SCHEMBL2372172

SCHEMBL2372172

COC(=O)c1c(CBr)c(-c2cccc(C(F)(F)F)c2)nc2ccc(OC)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.51
TRPV4 Q9HBA0 2/20 0.46
MITF O75030 1/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
PTGFR P43088 4/20 0.43
SCD O00767 2/20 0.43
DHODH Q02127 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
CALCRL Q16602 1/20 0.43
BRAF P15056 1/20 0.42
KDR P35968 1/20 0.42
MAPK14 Q16539 1/20 0.42
TNNI3K Q59H18 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL2406597 0.95 DHODH (0.50) PLA2G2ATRPV4MITFAKR1C3AKR1C2
SCHEMBL2372795 0.93 PTGFR (0.45) PLA2G2ATRPV4PTGFRDHODHKDM4E
SCHEMBL2372251 0.92 TRPV4 (0.51) PLA2G2ATRPV4AKR1C3AKR1C2TDP1
SCHEMBL2373306 0.92 DHODH (0.51) PLA2G2ATRPV4PTGFRDHODHKDM4E
SCHEMBL2372472 0.89 PLA2G2A (0.51) PLA2G2ATRPV4PTGFRDHODHKDM4E
SCHEMBL2372559 0.88 TRPV4 (0.50) TRPV4PTGFRDHODHKDM4ESMN1; SMN2
SCHEMBL2373029 0.87 DHODH (0.57) PLA2G2AMITFPLGPLAUPLAT
SCHEMBL2372765 0.86 PTGS2 (0.43) TRPV4PTGFRDHODHKDM4EMEN1
SCHEMBL2373287 0.84 TRPV4 (0.52) TRPV4TDP1KDM4EMEN1KMT2A
SCHEMBL2372142 0.84 CTSA (0.44) TRPV4PTGFRMAPK14MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011119693-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed