SCHEMBL22277428

SCHEMBL22277428

C=CCCC1CCC(C2CCC(CCc3ccc(-c4ccc(OCC)c(F)c4F)cc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.40
GABRA1 P14867 4/20 0.33
GABRB2 P47870 4/20 0.33
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL22277420 0.96 FFAR4 (0.41) FFAR4GABRA1GABRB2MEN1ALDH1A1
SCHEMBL22277471 0.92 CNR2 (0.38) FFAR4GABRA1GABRB2
SCHEMBL22161979 0.92 FFAR4 (0.40) FFAR4GABRA1GABRB2MEN1ALDH1A1
SCHEMBL17522329 0.90 FFAR4 (0.36) FFAR4GABRA1GABRB2
SCHEMBL22277537 0.89 FFAR4 (0.39) FFAR4
SCHEMBL22277679 0.88 FFAR4 (0.43) FFAR4GRIN1GRIN2B
SCHEMBL22277543 0.88 FFAR4 (0.43) FFAR4GRIN1GRIN2B
SCHEMBL17827774 0.88 FFAR4 (0.47) FFAR4GRIN1GRIN2B
SCHEMBL22277452 0.88 FFAR4 (0.37) FFAR4GABRA1GABRB2
SCHEMBL22277221 0.88 CNR2 (0.39) FFAR4GABRA1GABRB2

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
US-20200239775-A1 TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-07-30 US disclosed