SCHEMBL8979196

SCHEMBL8979196

Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#N)cc3)c(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
CYP2A6 P11509 1/20 0.53
FFAR1 O14842 4/20 0.43
FFAR4 Q5NUL3 2/20 0.43
HAO1 Q9UJM8 2/20 0.42
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
AR P10275 3/20 0.39
GRM5 P41594 3/20 0.37
TRPV4 Q9HBA0 1/20 0.37
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL8978989 1.00 ALDH1A1 (0.53) ALDH1A1CYP2A6FFAR1FFAR4HAO1
SCHEMBL8979134 0.91 GRM5 (0.42) ALDH1A1CYP2A6FFAR1FFAR4CYP11B1
SCHEMBL8979037 0.90 ALDH1A1 (0.57) ALDH1A1CYP2A6FFAR1FFAR4HAO1
SCHEMBL9293782 0.90 CYP11B1 (0.50) ALDH1A1CYP2A6FFAR1FFAR4CYP11B1
SCHEMBL23335104 0.86 CYP11B1 (0.45) ALDH1A1CYP2A6FFAR1FFAR4CYP11B1
SCHEMBL7851710 0.85 FFAR1 (0.39) FFAR1FFAR4GRM5CA12CA2
SCHEMBL10091204 0.85 FFAR1 (0.49) ALDH1A1FFAR1FFAR4HAO1GRM5
SCHEMBL7858970 0.85 FFAR1 (0.39) FFAR1FFAR4GRM5CA12CA2
SCHEMBL10018724 0.84 GRM5 (0.42) ALDH1A1CYP2A6FFAR1FFAR4CYP11B1
SCHEMBL7858588 0.84 GRM5 (0.42) ALDH1A1CYP2A6FFAR1FFAR4CYP11B1

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