SCHEMBL8978766

SCHEMBL8978766

CCc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)cc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.43
FFAR4 Q5NUL3 3/20 0.43
ACACB O00763 4/20 0.41
CYP2A6 P11509 1/20 0.38
KCNH2 Q12809 1/20 0.37
GRM5 P41594 1/20 0.35
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA1 P00915 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
SCHEMBL8978996 1.00 FFAR1 (0.43) FFAR1FFAR4ACACBCYP2A6KCNH2
SCHEMBL8978953 0.94 FFAR1 (0.47) FFAR1FFAR4ACACBCYP2A6GRM5
SCHEMBL7858784 0.92 FFAR1 (0.43) FFAR1FFAR4ACACBCYP2A6KCNH2
SCHEMBL7857765 0.92 FFAR1 (0.47) FFAR1FFAR4ACACBCYP2A6KCNH2
SCHEMBL8978800 0.90 FFAR1 (0.41) FFAR1FFAR4ACACBCYP2A6KCNH2
SCHEMBL7851598 0.89 FFAR1 (0.42) FFAR1FFAR4ACACBCYP2A6GRM5
SCHEMBL7857636 0.89 FFAR1 (0.42) FFAR1FFAR4ACACBCYP2A6GRM5
SCHEMBL8979134 0.88 GRM5 (0.42) FFAR1FFAR4ACACBCYP2A6KCNH2
SCHEMBL8979020 0.88 FFAR1 (0.44) FFAR1FFAR4ACACBCYP2A6
SCHEMBL8979067 0.88 FFAR1 (0.44) FFAR1FFAR4ACACBCYP2A6

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