SCHEMBL8978909

SCHEMBL8978909

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.45
ACACB O00763 6/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
KCNH2 Q12809 1/20 0.36
GRM5 P41594 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
SCHEMBL8978868 1.00 FFAR1 (0.45) FFAR1ACACBCYP1A2CYP2A6TAAR1
SCHEMBL8978955 0.94 ACACB (0.42) FFAR1ACACB
SCHEMBL8978832 0.91 FFAR1 (0.43) FFAR1CYP1A2CYP2A6TAAR1KCNH2
SCHEMBL8979017 0.91 FFAR1 (0.43) FFAR1CYP1A2CYP2A6TAAR1KCNH2
SCHEMBL20005184 0.90 FFAR1 (0.43) FFAR1ACACBCYP1A2CYP2A6TAAR1
SCHEMBL8979029 0.90 FFAR1 (0.42) FFAR1KCNH2
SCHEMBL8979096 0.90 FFAR1 (0.42) FFAR1KCNH2
SCHEMBL25548582 0.90 FFAR1 (0.42) FFAR1ACACBCYP1A2CYP2A6TAAR1
SCHEMBL8978833 0.89 ACACB (0.40) FFAR1ACACBCYP2A6TAAR1
SCHEMBL8978971 0.89 ACACB (0.40) FFAR1ACACBCYP2A6TAAR1

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