SCHEMBL22277356

SCHEMBL22277356

CCOc1ccc(-c2ccc(-c3ccc(CCC4CCC(CC)CC4)cc3)cc2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.44
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
GRM2 Q14416 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
SSTR5 P35346 1/20 0.31

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
SCHEMBL22277543 0.95 FFAR4 (0.43) FFAR4GRIN1GRIN2BRXRARXRB
SCHEMBL17827774 0.95 FFAR4 (0.47) FFAR4GRIN1GRIN2BRXRARXRB
SCHEMBL22277497 0.93 FFAR4 (0.44) FFAR4GRIN1GRIN2BRXRARXRB
SCHEMBL1311986 0.91 FFAR4 (0.45) FFAR4GRIN1GRIN2BRXRARXRB
SCHEMBL9406087 0.91 FFAR4 (0.45) FFAR4GRIN1GRIN2BRXRARXRB
SCHEMBL12113639 0.90 FFAR4 (0.44) FFAR4GRIN1GRIN2BRXRARXRB
SCHEMBL22277679 0.88 FFAR4 (0.43) FFAR4GRIN1GRIN2BRXRARXRB
SCHEMBL5394425 0.88 FFAR4 (0.43) FFAR4GRIN1GRIN2BGPR84FGFR1
SCHEMBL8969206 0.88 FFAR4 (0.35) FFAR4GRIN1GRIN2BFGFR1FGFR2
SCHEMBL22269639 0.88 FFAR4 (0.41) FFAR4GRIN1GRIN2BRXRARXRB

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