SCHEMBL22277601

SCHEMBL22277601

C=CC1CCC(c2ccc(-c3ccc(CCc4ccc(OCC)c(F)c4F)cc3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.34
GABRA1 P14867 4/20 0.34
GABRB2 P47870 4/20 0.34
SPHK1 Q9NYA1 3/20 0.32
KDM1A O60341 2/20 0.32

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
SCHEMBL22277590 0.94 SPHK1 (0.32) FFAR4SPHK1KDM1A
SCHEMBL22277656 0.92 CNR2 (0.39) FFAR4GABRA1GABRB2SPHK1
SCHEMBL14311221 0.88 SPHK1 (0.32) FFAR4SPHK1KDM1A
SCHEMBL13235327 0.88 SPHK1 (0.32) FFAR4SPHK1KDM1A
SCHEMBL22277430 0.88 FFAR4 (0.37) FFAR4GABRA1GABRB2SPHK1KDM1A
SCHEMBL17017016 0.88 FFAR4 (0.33) FFAR4SPHK1KDM1A
SCHEMBL22277640 0.87 MAPT (0.36) GABRA1GABRB2KDM1A
SCHEMBL12834612 0.87 SPHK1 (0.32) SPHK1KDM1A
SCHEMBL20803741 0.86 KDM1A (0.42) FFAR4GABRA1GABRB2SPHK1KDM1A
SCHEMBL22277746 0.86 SPHK1 (0.37) FFAR4GABRA1GABRB2SPHK1

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