SCHEMBL2373069

SCHEMBL2373069

CCCOc1ccc2c(C(=O)OC)c(CBr)c(-c3cccc(C(F)(F)F)c3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 10/20 0.46
NR1I2 O75469 1/20 0.46
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FAAH O00519 1/20 0.38
PLA2G2A P14555 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
HTT P42858 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
SCHEMBL2373287 0.93 TRPV4 (0.52) TRPV4NR1I2PPARGPPARAMAPT
SCHEMBL2372251 0.90 TRPV4 (0.51) TRPV4NR1I2MAPTTDP1PLA2G2A
SCHEMBL2374017 0.89 DHODH (0.45) TRPV4NR1I2PPARGPPARAALDH1A1
SCHEMBL2372779 0.89 TRPV4 (0.45) TRPV4NR1I2PPARGPPARATDP1
SCHEMBL2373216 0.84 LMNA (0.51) TRPV4MAPTLMNAPLA2G2AHTT
SCHEMBL2372559 0.84 TRPV4 (0.50) TRPV4
SCHEMBL2372172 0.83 PLA2G2A (0.51) TRPV4ALDH1A1TDP1PLA2G2AHTT
SCHEMBL2373306 0.82 DHODH (0.51) TRPV4ALDH1A1PLA2G2AHTT
SCHEMBL2372047 0.82 PTGS2 (0.43) TRPV4NR1I2
SCHEMBL2373263 0.82 TRPV4 (0.49) TRPV4NR1I2PPARGPPARAMAPT

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