SCHEMBL22277243

SCHEMBL22277243

C=CCCC1CCC(c2ccc(CCc3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL22277268 0.94 FFAR4 (0.33) KDM1AFFAR4
SCHEMBL22277238 0.93 SPHK1 (0.33) FFAR4
SCHEMBL22277452 0.89 FFAR4 (0.37) KDM1AFFAR4
SCHEMBL22277229 0.89 CYP2C9 (0.38) KDM1AFFAR4
SCHEMBL22277516 0.88 KDM1A (0.35) KDM1AFFAR4
SCHEMBL22277540 0.86 FFAR4 (0.35) KDM1AFFAR4
SCHEMBL22277250 0.86 CTSL (0.32) FFAR4
SCHEMBL22277603 0.84 PPARD (0.33) KDM1AFFAR4
SCHEMBL19985394 0.84 ESR2 (0.34) KDM1AFFAR4
SCHEMBL8933815 0.83 KDM1A (0.37) KDM1AFFAR4

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