SCHEMBL8978971

SCHEMBL8978971

CCCc1ccc(C#Cc2cc(F)c(C#Cc3ccc(CC)cc3)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.40
TAAR1 Q96RJ0 1/20 0.39
CYP2A6 P11509 1/20 0.38
FFAR1 O14842 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PLAU P00749 1/20 0.34

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
SCHEMBL8978833 1.00 ACACB (0.40) ACACBTAAR1CYP2A6FFAR1L3MBTL1
SCHEMBL8978955 0.95 ACACB (0.42) ACACBFFAR1FFAR4PLAU
SCHEMBL8979061 0.92 CYP2A6 (0.44) ACACBTAAR1CYP2A6FFAR1FFAR4
SCHEMBL8979087 0.91 PTPN11 (0.38) TAAR1CYP2A6FFAR1FFAR4
SCHEMBL8978920 0.91 PTPN11 (0.38) TAAR1CYP2A6FFAR1FFAR4
SCHEMBL8978736 0.90 HSD17B10 (0.43) FFAR1FFAR4
SCHEMBL8979191 0.90 HSD17B10 (0.43) FFAR1FFAR4
SCHEMBL8978951 0.89 PTPN11 (0.39) ACACBFFAR1FFAR4
SCHEMBL8978909 0.89 FFAR1 (0.45) ACACBTAAR1CYP2A6FFAR1
SCHEMBL8979021 0.89 PTPN11 (0.39) 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