SCHEMBL8979037

SCHEMBL8979037

Cc1ccc(C#Cc2cc(F)c(C#Cc3ccc(C#N)cc3)cc2F)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
CYP2A6 P11509 1/20 0.57
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
FFAR1 O14842 3/20 0.40
FFAR4 Q5NUL3 1/20 0.39
GRM5 P41594 1/20 0.39
HAO1 Q9UJM8 2/20 0.38
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
AR P10275 2/20 0.37
CA1 P00915 1/20 0.37
KCNH2 Q12809 1/20 0.37
KIF11 P52732 1/20 0.37
TRPV4 Q9HBA0 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL8979151 0.91 GRM5 (0.45) ALDH1A1CYP2A6CYP11B1CYP11B2FFAR1
SCHEMBL8979196 0.90 ALDH1A1 (0.53) ALDH1A1CYP2A6CYP11B1CYP11B2FFAR1
SCHEMBL8978989 0.90 ALDH1A1 (0.53) ALDH1A1CYP2A6CYP11B1CYP11B2FFAR1
SCHEMBL19401232 0.85 ACHE (0.50) ALDH1A1CYP2A6FFAR1GRM5CA12
SCHEMBL20886684 0.84 CA12 (0.46) ALDH1A1FFAR1FFAR4GRM5CA12
SCHEMBL12700650 0.84 FFAR1 (0.40) ALDH1A1CYP2A6FFAR1FFAR4GRM5
SCHEMBL16104527 0.82 CYP2A6 (0.84) ALDH1A1CYP2A6FFAR1GRM5CA12
SCHEMBL9293782 0.82 CYP11B1 (0.50) ALDH1A1CYP2A6CYP11B1CYP11B2FFAR1
SCHEMBL8979024 0.81 CYP2A6 (0.61) CYP2A6FFAR1FFAR4HAO1TRPV4
SCHEMBL19403106 0.81 CA12 (0.41) ALDH1A1CYP2A6FFAR1FFAR4GRM5

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