SCHEMBL22277705

SCHEMBL22277705

C=CCCc1ccc(-c2ccc(C3CCC(OC(=O)c4ccc(OCC)c(F)c4F)CC3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.36
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
SSTR5 P35346 2/20 0.30
CAMKK1 Q8N5S9 1/20 0.30
CAMKK2 Q96RR4 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
SCHEMBL22277307 0.90 FFAR4 (0.36) FFAR4RXRARXRBRXRGMAPT
SCHEMBL22277662 0.83 HPGD (0.38) FFAR4RXRARXRBRXRGSMN1; SMN2
SCHEMBL22277700 0.81 FFAR4 (0.32) FFAR4GABRA1GABRB2SSTR5
SCHEMBL20803681 0.79 KDM1A (0.43) FFAR4RXRARXRBRXRGGABRA1
SCHEMBL22277325 0.78 FFAR4 (0.33) FFAR4GABRA1GABRB2
SCHEMBL12737781 0.78 FFAR4 (0.41) FFAR4GABRA1GABRB2SSTR5CAMKK1
SCHEMBL22277665 0.77 HPGD (0.38) FFAR4SMN1; SMN2
SCHEMBL12741058 0.77 MAPT (0.35) MAPTSMN1; SMN2CAMKK1CAMKK2
SCHEMBL12737597 0.77 MAPT (0.35) MAPTSMN1; SMN2CAMKK1CAMKK2
SCHEMBL22277738 0.76 FFAR4 (0.38) 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