SCHEMBL8978869

SCHEMBL8978869

CCCc1ccc(C#Cc2cc(F)c(Br)cc2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.39
FFAR1 O14842 13/20 0.39
FFAR4 Q5NUL3 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRM2 P08172 1/20 0.33
S1PR1 P21453 1/20 0.33
FPR1 P21462 1/20 0.33
FPR3 P25089 1/20 0.33
GPR183 P32249 1/20 0.33
APLNR P35414 1/20 0.33
GPR65 Q8IYL9 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
SCHEMBL31633771 1.00 ACACB (0.39) ACACBFFAR1FFAR4CYP1A2CYP2D6
SCHEMBL8978862 0.92 ACACB (0.38) ACACBFFAR1FFAR4CYP1A2CYP2D6
SCHEMBL8978893 0.91 FFAR1 (0.43) ACACBFFAR1FFAR4CHRM2S1PR1
SCHEMBL19403081 0.89 HSD17B10 (0.43) ACACBFFAR1FFAR4CHRM2
SCHEMBL15430817 0.89 FFAR1 (0.43) ACACBFFAR1FFAR4CYP1A2CYP2D6
SCHEMBL19384848 0.88 ACACB (0.41) ACACBFFAR1FFAR4CYP1A2CYP2D6
SCHEMBL8979104 0.86 FFAR1 (0.40) ACACBFFAR1FFAR4CHRM2S1PR1
SCHEMBL8978969 0.85 FFAR1 (0.46) ACACBFFAR1FFAR4CYP1A2CHRM2
SCHEMBL31350274 0.85 ACACB (0.43) ACACBFFAR1FFAR4CHRM2S1PR1
SCHEMBL8978759 0.85 PTPN11 (0.40) ACACBFFAR1FFAR4

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-0581272-B1 Tolane derivatives, liquid crystal compositions containing the derivatives and liquid crystal display device using the compositions SEIKO EPSON CORP (JP) 1996-05-08 EP disclosed
US-5356558-A Compatibility, high speed response SEIKO EPSON CORPORATION (JP) 1994-10-18 US disclosed
EP-0581272-A1 Tolane derivatives, liquid crystal compositions containing the derivatives and liquid crystal display device using the compositions SEIKO EPSON CORPORATION (JP) 1994-02-02 EP disclosed