SCHEMBL9505508

SCHEMBL9505508

CCCCc1cccc(-c2ccccc2-c2ccc(F)c(F)c2F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.43
PSMB5 P28074 1/20 0.40
GPR3 P46089 1/20 0.38
SCN8A Q9UQD0 1/20 0.36
LPL P06858 2/20 0.35
LIPG Q9Y5X9 2/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
BCL2L2 Q92843 1/20 0.34
HSD11B1 P28845 1/20 0.34
RARB P10826 1/20 0.34
MPL P40238 1/20 0.33
PCSK9 Q8NBP7 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
SCHEMBL9764076 0.96 GPR3 (0.43) HTR7PSMB5GPR3LPLLIPG
SCHEMBL9764332 0.95 GPR3 (0.45) HTR7GPR3LPLLIPGRARB
SCHEMBL9763652 0.95 GPR3 (0.45) HTR7GPR3LPLLIPGRARB
SCHEMBL9764031 0.95 GPR3 (0.45) HTR7GPR3LPLLIPGRARB
SCHEMBL9763636 0.95 GPR3 (0.45) HTR7GPR3LPLLIPGRARB
SCHEMBL9763735 0.95 GPR3 (0.45) HTR7GPR3LPLLIPGRARB
SCHEMBL9221772 0.92 HTR7 (0.46) HTR7PSMB5GPR3SCN8ALPL
SCHEMBL9763549 0.92 HTR7 (0.46) HTR7SCN8ACTSLCTSSCTSK
SCHEMBL9225306 0.88 HTR7 (0.44) HTR7PSMB5GPR3SCN8ALPL
SCHEMBL9764366 0.87 HTR7 (0.42) HTR7SCN8ACTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0387032-B1 TRIFLUOROBENZENE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME CHISSO CORP (JP) 1993-06-16 EP disclosed
US-5032313-A Trifluorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1991-07-16 US disclosed