SCHEMBL8979061

SCHEMBL8979061

CCc1ccc(C#Cc2cc(F)c(C#Cc3ccc(CC)cc3)c(F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
ACACB O00763 2/20 0.40
TAAR1 Q96RJ0 1/20 0.36
LMNA P02545 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
RET P07949 2/20 0.35
FFAR1 O14842 7/20 0.35
FFAR4 Q5NUL3 3/20 0.35
ASIC3 Q9UHC3 1/20 0.34
TP53 P04637 1/20 0.32
PLAU P00749 1/20 0.32

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
SCHEMBL8979137 0.93 FFAR1 (0.41) CYP2A6ACACBEGLN1RETFFAR1
SCHEMBL8979153 0.93 FFAR1 (0.41) CYP2A6ACACBEGLN1RETFFAR1
SCHEMBL8979129 0.92 CYP2A6 (0.59) CYP2A6ACACBFFAR1TP53
SCHEMBL8978971 0.92 ACACB (0.40) CYP2A6ACACBTAAR1FFAR1FFAR4
SCHEMBL8978833 0.92 ACACB (0.40) CYP2A6ACACBTAAR1FFAR1FFAR4
SCHEMBL8979087 0.89 PTPN11 (0.38) CYP2A6TAAR1LMNAFFAR1FFAR4
SCHEMBL8978920 0.89 PTPN11 (0.38) CYP2A6TAAR1LMNAFFAR1FFAR4
SCHEMBL9293677 0.88 CYP2A6 (0.53) CYP2A6ACACBTAAR1LMNAEGLN1
SCHEMBL8755905 0.88 CYP2A6 (0.40) CYP2A6ACACBTAAR1LMNAEGLN1
SCHEMBL8978736 0.88 HSD17B10 (0.43) LMNAFFAR1FFAR4TP53

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