SCHEMBL6896183

SCHEMBL6896183

CCCc1ccc(-c2ccc(OCc3ccc(CC)cc3)c(F)c2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
GABRA1 P14867 4/20 0.37
GABRB2 P47870 4/20 0.37
ALOX5 P09917 2/20 0.37
FFAR4 Q5NUL3 4/20 0.36
ERN1 O75460 1/20 0.35
NAAA Q02083 1/20 0.35
FEN1 P39748 2/20 0.34
S1PR5 Q9H228 1/20 0.33
SLK Q9H2G2 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33

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
SCHEMBL10302261 0.93 CTSL (0.40) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL17487607 0.89 CTSL (0.41) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL12740923 0.89 CTSL (0.43) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL12736468 0.89 CTSL (0.43) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL12740996 0.86 FFAR4 (0.39) GABRA1GABRB2ALOX5FFAR4ERN1
SCHEMBL12717205 0.86 FFAR4 (0.36) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL10302262 0.86 FFAR4 (0.36) CTSLCTSSCTSKFFAR4ERN1
SCHEMBL10302264 0.86 FFAR4 (0.39) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL17487946 0.85 CTSL (0.37) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL16852421 0.85 CTSL (0.45) CTSLCTSSCTSKGABRA1GABRB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945418-B1 LIQUID CRYSTAL COMPOUNDS EXHIBITING NEGATIVE ANISOTROPY OF PERMITTIVITY, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAYS CHISSO CORP (JP) 2004-04-07 EP disclosed
US-6210761-B1 HIGH VOLTAGE HOLDING RATIO AND A LOW THRESHOLD VOLTAGE, ARE REMARKABLY SMALL IN THEIR DEPENDENCY ON TEMPERATURE, HARDLY EXHIBIT SMECTIC PHASE, AND ARE EXCELLENT IN MISCIBILITY WITH OTHER LIQUID CRYSTAL MATERIALS CHISSO CORPORATION (JP) 2001-04-03 US disclosed
EP-0945418-A1 LIQUID CRYSTAL COMPOUNDS EXHIBITING NEGATIVE ANISOTROPY OF PERMITTIVITY, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAYS CHISSO CORPORATION (JP) 1999-09-29 EP disclosed