SCHEMBL7729284

SCHEMBL7729284

CCc1ccc(C(F)(F)Oc2cc(F)c(C(F)(F)F)c(F)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.32
PDE2A O00408 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32
IDO1 P14902 2/20 0.31
LMNA P02545 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
TSHR P16473 1/20 0.31
MAOB P27338 1/20 0.31
GAA P10253 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
KCNQ4 P56696 1/20 0.30
KCNQ5 Q9NR82 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
SCHEMBL7730683 0.97 TSHR (0.35) KIF11PDE2ATSHRMAOB
SCHEMBL7733408 0.89 PPARG (0.32) PDE2ATSHR
SCHEMBL7722571 0.89 PPARD (0.39) KIF11RXRARXRBRXRGTSHR
SCHEMBL7732825 0.88 TAAR1 (0.37) PDE2ATAAR1MAOBGAA
SCHEMBL7735331 0.88 KIF11 (0.33) KIF11PDE2ATAAR1LMNATSHR
SCHEMBL7722827 0.88 DAO (0.36) TAAR1TSHRMAOB
SCHEMBL7730994 0.87 FFAR1 (0.33) KIF11TSHR
SCHEMBL20111064 0.86 KIF11 (0.33) KIF11PDE2ATAAR1LMNATSHR
SCHEMBL7729444 0.86 PSEN1 (0.36) TAAR1MAOB
SCHEMBL7735261 0.86 MAOB (0.36) TAAR1MAOB

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 3 patents. 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
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed