SCHEMBL7861704

SCHEMBL7861704

CCCc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.47
FFAR4 Q5NUL3 2/20 0.45
ACACB O00763 5/20 0.40
CHRM2 P08172 1/20 0.37
S1PR1 P21453 1/20 0.37
FPR1 P21462 1/20 0.37
FPR3 P25089 1/20 0.37
GPR183 P32249 1/20 0.37
APLNR P35414 1/20 0.37
GPR65 Q8IYL9 1/20 0.37

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
SCHEMBL8979067 0.93 FFAR1 (0.44) FFAR1FFAR4ACACBCHRM2S1PR1
SCHEMBL8979020 0.93 FFAR1 (0.44) FFAR1FFAR4ACACBCHRM2S1PR1
SCHEMBL7851532 0.91 FFAR1 (0.45) FFAR1FFAR4ACACB
SCHEMBL7861607 0.91 FFAR1 (0.51) FFAR1FFAR4ACACB
SCHEMBL7851699 0.90 FFAR1 (0.44) FFAR1FFAR4ACACBCHRM2
SCHEMBL8978969 0.89 FFAR1 (0.46) FFAR1FFAR4ACACBCHRM2S1PR1
SCHEMBL7859826 0.89 FFAR1 (0.55) FFAR1FFAR4ACACBCHRM2S1PR1
SCHEMBL8978916 0.89 FFAR1 (0.48) FFAR1FFAR4ACACB
SCHEMBL7858616 0.89 HSD17B10 (0.44) FFAR1FFAR4CHRM2
SCHEMBL7857708 0.89 HSD17B10 (0.44) FFAR1FFAR4CHRM2

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