SCHEMBL8979104

SCHEMBL8979104

CCCc1ccc(C#Cc2cc(F)c(C#Cc3ccc(CC)cc3)cc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.40
ACACB O00763 5/20 0.40
FFAR4 Q5NUL3 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CYP2A6 P11509 1/20 0.39
CHRM2 P08172 1/20 0.35
S1PR1 P21453 1/20 0.35
FPR1 P21462 1/20 0.35
FPR3 P25089 1/20 0.35
GPR183 P32249 1/20 0.35
APLNR P35414 1/20 0.35
GPR65 Q8IYL9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8978893 0.95 FFAR1 (0.43) FFAR1ACACBFFAR4CHRM2S1PR1
SCHEMBL8978844 0.92 CYP2A6 (0.45) FFAR1ACACBFFAR4TAAR1CYP2A6
SCHEMBL8978770 0.91 PTPN11 (0.39) FFAR1FFAR4TAAR1CYP2A6
SCHEMBL8978842 0.91 FFAR1 (0.45) FFAR1ACACBFFAR4TAAR1CYP2A6
SCHEMBL8979105 0.91 FFAR1 (0.45) FFAR1ACACBFFAR4TAAR1CYP2A6
SCHEMBL8978776 0.89 HSD17B10 (0.44) FFAR1FFAR4CHRM2
SCHEMBL7858552 0.89 FFAR1 (0.49) FFAR1ACACBFFAR4TAAR1CYP2A6
SCHEMBL7858754 0.89 FFAR1 (0.52) FFAR1ACACBFFAR4TAAR1CYP2A6
SCHEMBL31350274 0.89 ACACB (0.43) FFAR1ACACBFFAR4CHRM2S1PR1
SCHEMBL8978969 0.89 FFAR1 (0.46) FFAR1ACACBFFAR4TAAR1CYP2A6

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