SCHEMBL7861578

SCHEMBL7861578

CCCc1ccc(C#Cc2ccc(C#Cc3ccc(C)c(F)c3)cc2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.48
FFAR4 Q5NUL3 4/20 0.48
ACACB O00763 4/20 0.38
DAO P14920 1/20 0.37
CHRM2 P08172 1/20 0.35
S1PR1 P21453 1/20 0.35
FPR1 P21462 1/20 0.35
FPR3 P25089 1/20 0.35
GPR183 P32249 1/20 0.35
APLNR P35414 1/20 0.35
GPR65 Q8IYL9 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
SCHEMBL7858526 0.96 FFAR1 (0.43) FFAR1FFAR4ACACBCHRM2S1PR1
SCHEMBL7851691 0.96 FFAR1 (0.43) FFAR1FFAR4ACACBCHRM2S1PR1
SCHEMBL7858973 0.92 FFAR1 (0.46) FFAR1FFAR4ACACBDAOCHRM2
SCHEMBL7858585 0.91 FFAR1 (0.52) FFAR1FFAR4ACACB
SCHEMBL7859868 0.91 FFAR1 (0.45) FFAR1FFAR4ACACBDAO
SCHEMBL7851751 0.90 FFAR1 (0.44) FFAR1FFAR4ACACBCHRM2
SCHEMBL8017381 0.90 FFAR1 (0.44) FFAR1FFAR4ACACBCHRM2
SCHEMBL7861109 0.89 FFAR1 (0.44) FFAR1FFAR4ACACBDAOCHRM2
SCHEMBL7859826 0.88 FFAR1 (0.55) FFAR1FFAR4ACACBCHRM2S1PR1
SCHEMBL7851800 0.88 ACACB (0.41) 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