SCHEMBL22277679

SCHEMBL22277679

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.43
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 2/20 0.33
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
NLRP3 Q96P20 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 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
SCHEMBL1311986 0.96 FFAR4 (0.45) FFAR4S1PR1S1PR3MAOBMAOA
SCHEMBL9406087 0.96 FFAR4 (0.45) FFAR4S1PR1S1PR3MAOBMAOA
SCHEMBL12032398 0.96 FFAR4 (0.42) FFAR4S1PR1S1PR3MAOBMAOA
SCHEMBL22277497 0.95 FFAR4 (0.44) FFAR4S1PR1S1PR3MAOBMAOA
SCHEMBL22277542 0.93 FFAR4 (0.41) FFAR4S1PR1S1PR3MAOBMAOA
SCHEMBL22277543 0.93 FFAR4 (0.43) FFAR4S1PR1S1PR3MAOBMAOA
SCHEMBL17827774 0.93 FFAR4 (0.47) FFAR4S1PR1S1PR3MAOBMAOA
SCHEMBL22277522 0.92 FFAR4 (0.37) FFAR4S1PR1S1PR3HRH3
SCHEMBL13025958 0.89 FFAR4 (0.39) FFAR4S1PR1S1PR3GPR84
SCHEMBL22269526 0.89 FFAR4 (0.41) FFAR4S1PR1S1PR3

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