SCHEMBL7730381

SCHEMBL7730381

CCc1ccc(C(F)(F)Oc2ccc(CCc3cc(F)c(C#N)c(F)c3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.33
CYP2A6 P11509 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
DHODH Q02127 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MAOB P27338 2/20 0.31
TSHR P16473 1/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
NRP1 O14786 1/20 0.31
EPHX2 P34913 1/20 0.30
NR1H4 Q96RI1 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
SCHEMBL7731387 0.93 ALPL (0.34) DAOTRPV4DHODHMAOB
SCHEMBL7732816 0.91 TRPV4 (0.36) CYP2A6TRPV4DHODHTSHREPHX2
SCHEMBL7734975 0.91 TSHR (0.34) DAOTRPV4TSHR
SCHEMBL7730411 0.90 HSD17B10 (0.39) TSHRSLC6A4SLC6A3
SCHEMBL7731469 0.88 PPARA (0.34) CYP2A6TRPV4DHODH
SCHEMBL7730572 0.88 TRPV4 (0.33) DAOCYP2A6TRPV4GPR84DHODH
SCHEMBL7733182 0.87 DAO (0.33) DAOTRPV4GPR84DHODHMAOB
SCHEMBL7730247 0.87 DAO (0.40) DAOTRPV4MAOB
SCHEMBL7733192 0.86 ALPL (0.34) TRPV4DHODHMAOB
SCHEMBL7730202 0.86 DAO (0.36) DAOGPR84TAAR1MAOBTSHR

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