SCHEMBL8836795

SCHEMBL8836795

CCCCc1ccc(-c2c([O])cc(F)c(CCc3cc(F)c(F)c(F)c3)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.39
RARA P10276 2/20 0.39
RARG P13631 1/20 0.39
GPR84 Q9NQS5 2/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MPL P40238 2/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 2/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
MEN1 O00255 1/20 0.33
MTOR P42345 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8836568 0.96 RARB (0.43) RARBRARARARGGPR84ALDH1A1
SCHEMBL8836400 0.95 RARB (0.45) RARBRARARARGALDH1A1HPGD
SCHEMBL8836851 0.95 RARB (0.45) RARBRARARARGALDH1A1HPGD
SCHEMBL8836062 0.95 RARB (0.45) RARBRARARARGALDH1A1HPGD
SCHEMBL8836463 0.95 RARB (0.45) RARBRARARARGALDH1A1HPGD
SCHEMBL8836799 0.95 RARB (0.45) RARBRARARARGALDH1A1HPGD
SCHEMBL8474034 0.92 RARB (0.33) RARBRARARARGGPR84FFAR4
SCHEMBL8470781 0.90 RARB (0.36) RARBRARARARGGPR84FFAR1
SCHEMBL8470743 0.89 TSHR (0.37) RARBRARARARGGPR84FFAR1
SCHEMBL8836445 0.88 FFAR4 (0.34) FFAR4

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-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed