SCHEMBL7733182

SCHEMBL7733182

CCc1ccc(C(F)(F)Oc2ccc(CCc3cc(F)c(C#N)c(F)c3)cc2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.33
TRPV4 Q9HBA0 1/20 0.33
FFAR1 O14842 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
AR P10275 1/20 0.31
DHODH Q02127 1/20 0.31
TSHR P16473 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
NRP1 O14786 1/20 0.30
MAOB P27338 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
SCHEMBL7729800 0.92 AR (0.33) DAOTRPV4FFAR1ARDHODH
SCHEMBL7730751 0.90 S1PR1 (0.34) DAOTRPV4FFAR1ARTSHR
SCHEMBL7732827 0.89 KIF11 (0.39) TRPV4FFAR1ARDHODH
SCHEMBL7731392 0.89 TSHR (0.37) TSHR
SCHEMBL7722751 0.88 FFAR1 (0.31) TRPV4FFAR1AR
SCHEMBL7730572 0.87 TRPV4 (0.33) DAOTRPV4GPR84DHODHTSHR
SCHEMBL7730381 0.87 DAO (0.33) DAOTRPV4GPR84DHODHTSHR
SCHEMBL7722606 0.86 DAO (0.36) DAOFFAR1GPR84TSHRSLC6A4
SCHEMBL7731389 0.84 DAO (0.36) DAOFFAR1GPR84TSHRSLC6A4
SCHEMBL14749512 0.83 TSHR (0.38) FFAR1TSHRSLC6A4

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
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed