SCHEMBL7858784

SCHEMBL7858784

CCc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ACACB O00763 3/20 0.41
CYP2A6 P11509 1/20 0.39
KCNH2 Q12809 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
SCHEMBL8978766 0.92 FFAR1 (0.43) FFAR1FFAR4ACACBCYP2A6KCNH2
SCHEMBL8978996 0.92 FFAR1 (0.43) FFAR1FFAR4ACACBCYP2A6KCNH2
SCHEMBL7857765 0.90 FFAR1 (0.47) FFAR1FFAR4ACACBCYP2A6KCNH2
SCHEMBL8978800 0.89 FFAR1 (0.41) FFAR1FFAR4ACACBCYP2A6KCNH2
SCHEMBL7858792 0.88 FFAR1 (0.50) FFAR1FFAR4ACACBCYP2A6
SCHEMBL8978953 0.88 FFAR1 (0.47) FFAR1FFAR4ACACBCYP2A6
SCHEMBL7861704 0.88 FFAR1 (0.47) FFAR1FFAR4ACACB
SCHEMBL10018724 0.86 GRM5 (0.42) FFAR1FFAR4ACACBCYP2A6KCNH2
SCHEMBL7858588 0.86 GRM5 (0.42) FFAR1FFAR4ACACBCYP2A6KCNH2
SCHEMBL7851532 0.85 FFAR1 (0.45) FFAR1FFAR4ACACB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6168728-B1 OPTICS WITH HIGH ANISOTROPIC VALUE CHISSO CORPORATION (JP) 2001-01-02 US disclosed
EP-0968988-A1 ACETYLENE DERIVATIVES, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE EACH COMPRISING THE SAME CHISSO CORPORATION (JP) 2000-01-05 EP disclosed