SCHEMBL7857636

SCHEMBL7857636

CCc1ccc(C#Cc2ccc(C#Cc3ccc(C)c(F)c3)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.42
FFAR4 Q5NUL3 4/20 0.42
ACACB O00763 3/20 0.40
CYP2A6 P11509 1/20 0.37
GRM5 P41594 1/20 0.35
CHRM2 P08172 1/20 0.34
S1PR1 P21453 1/20 0.34
FPR1 P21462 1/20 0.34
FPR3 P25089 1/20 0.34
GPR183 P32249 1/20 0.34
APLNR P35414 1/20 0.34
GPR65 Q8IYL9 1/20 0.34
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33

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
SCHEMBL7851598 1.00 FFAR1 (0.42) FFAR1FFAR4ACACBCYP2A6GRM5
SCHEMBL7861109 0.95 FFAR1 (0.44) FFAR1FFAR4ACACBCYP2A6GRM5
SCHEMBL7857342 0.92 CYP2A6 (0.42) FFAR1FFAR4ACACBCYP2A6GRM5
SCHEMBL8978953 0.92 FFAR1 (0.47) FFAR1FFAR4ACACBCYP2A6GRM5
SCHEMBL8978766 0.89 FFAR1 (0.43) FFAR1FFAR4ACACBCYP2A6GRM5
SCHEMBL8978996 0.89 FFAR1 (0.43) FFAR1FFAR4ACACBCYP2A6GRM5
SCHEMBL7858526 0.88 FFAR1 (0.43) FFAR1FFAR4ACACBCHRM2S1PR1
SCHEMBL7851691 0.88 FFAR1 (0.43) FFAR1FFAR4ACACBCHRM2S1PR1
SCHEMBL7861578 0.87 FFAR1 (0.48) FFAR1FFAR4ACACBCHRM2S1PR1
SCHEMBL7857631 0.86 FFAR1 (0.41) FFAR1FFAR4ACACBCHRM2S1PR1

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