SCHEMBL22277196

SCHEMBL22277196

C=CC1CCC(/C=C/C2CCC(c3ccc(-c4ccc(CCC)c(F)c4F)cc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
FFAR4 Q5NUL3 1/20 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
SCHEMBL22277573 0.92 FFAR4 (0.37) CTSLCTSSCTSKFFAR4
SCHEMBL22277199 0.91 CYP2C9 (0.34) CTSLCTSSCTSKFFAR4
SCHEMBL22277201 0.90 CYP2C9 (0.32) CTSLCTSSCTSK
SCHEMBL8933343 0.89 FASN (0.35) CTSLCTSSCTSKFFAR4
SCHEMBL22277167 0.88 CYP2C9 (0.40) CTSLCTSSCTSKFFAR4
SCHEMBL8959193 0.86 FASN (0.34) CTSLCTSSCTSK
SCHEMBL8935097 0.86 CTSL (0.36) CTSLCTSSCTSK
SCHEMBL22277687 0.86 FFAR4 (0.45) CTSLCTSSCTSKFFAR4
SCHEMBL22277493 0.85 SPHK1 (0.34) CTSLCTSSCTSKFFAR4
SCHEMBL22277570 0.85 SPHK1 (0.44) 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