SCHEMBL22277307

SCHEMBL22277307

C/C=C/CCc1ccc(-c2ccc(C3CCC(OC(=O)c4ccc(OCC)c(F)c4F)CC3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.36
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 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
SCHEMBL22277705 0.90 FFAR4 (0.36) FFAR4RXRARXRBRXRGMAPT
SCHEMBL22277681 0.82 FFAR4 (0.32) FFAR4
SCHEMBL12197188 0.81 MAPT (0.33) FFAR4MAPTSMN1; SMN2
SCHEMBL22277737 0.79 FFAR4 (0.34) FFAR4
SCHEMBL11933262 0.78 CTSL (0.33) FFAR4MAPTSMN1; SMN2
SCHEMBL15723153 0.78 ESR2 (0.31) FFAR4
SCHEMBL22277622 0.78 HPGD (0.37) FFAR4SMN1; SMN2
SCHEMBL12737781 0.77 FFAR4 (0.41) FFAR4
SCHEMBL11953810 0.77 FFAR4 (0.36) FFAR4
SCHEMBL11953749 0.77 FFAR4 (0.36) 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
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