SCHEMBL8969677

SCHEMBL8969677

CCCCCC1COC(CCc2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2F)OC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
FPR2 P25090 1/20 0.31

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
SCHEMBL8969459 0.95 CTSL (0.31) CTSLCTSSCTSKFFAR4FPR2
SCHEMBL8969514 0.95 CTSL (0.31) CTSLCTSSCTSKFFAR4FPR2
SCHEMBL8969591 0.89 CNR2 (0.34) CTSLCTSSCTSK
SCHEMBL8969780 0.89 CNR2 (0.34) CTSLCTSSCTSK
SCHEMBL8969882 0.89 CNR2 (0.34) CTSLCTSSCTSK
SCHEMBL8969551 0.88 NAAA (0.37) FFAR4FPR2
SCHEMBL8969506 0.87 NAAA (0.36) FFAR4FPR2
SCHEMBL8969170 0.86 SLC6A2 (0.30) CTSLCTSSCTSK
SCHEMBL8969153 0.86 SLC6A2 (0.30) CTSLCTSSCTSK
SCHEMBL8951886 0.82 FPR2 (0.33) FFAR4FPR2

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed