SCHEMBL22277209

SCHEMBL22277209

C=CCCC1CCC(COc2ccc(-c3ccc(-c4ccc(CCCCC)c(F)c4F)cc3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.33
CNR2 P34972 8/20 0.33
KDM1A O60341 1/20 0.32
CNR1 P21554 5/20 0.30
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
PDK2 Q15119 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
SCHEMBL22277607 0.93 CTSL (0.36) FFAR4KDM1ACTSLCTSSCTSK
SCHEMBL22277197 0.90 FFAR4 (0.34) FFAR4CNR2KDM1ACNR1CTSL
SCHEMBL17897422 0.90 FFAR4 (0.36) FFAR4CNR2KDM1ACNR1PDK2
SCHEMBL22277690 0.89 CTSL (0.35) FFAR4KDM1ACTSLCTSSCTSK
SCHEMBL22277584 0.86 CNR2 (0.35) FFAR4CNR2KDM1ACNR1PDK2
SCHEMBL22277467 0.86 RARB (0.34)
SCHEMBL8935594 0.83
SCHEMBL22277192 0.83 SSTR5 (0.36) FFAR4KDM1APDK2
SCHEMBL22277464 0.83 CTSL (0.37) FFAR4KDM1ACTSLCTSSCTSK
SCHEMBL22277563 0.83 CNR2 (0.34) FFAR4CNR2KDM1ACNR1PDK2

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