SCHEMBL7857701

SCHEMBL7857701

CCc1ccc(C#Cc2ccc(C#Cc3ccc(CC)c(F)c3F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.41
ACACB O00763 2/20 0.40
CYP2A6 P11509 1/20 0.40
FFAR4 Q5NUL3 3/20 0.35
EGLN1 Q9GZT9 1/20 0.34
CHRM2 P08172 1/20 0.33
S1PR1 P21453 1/20 0.33
FPR1 P21462 1/20 0.33
FPR3 P25089 1/20 0.33
GPR183 P32249 1/20 0.33
APLNR P35414 1/20 0.33
GPR65 Q8IYL9 1/20 0.33
LMNA P02545 1/20 0.33
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32

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
SCHEMBL7861689 0.89 FFAR1 (0.45) FFAR1ACACBFFAR4CHRM2S1PR1
SCHEMBL7859866 0.89 FFAR1 (0.39) FFAR1ACACBCYP2A6FFAR4CHRM2
SCHEMBL7857676 0.87 CA12 (0.40) FFAR1ACACBFFAR4EGLN1
SCHEMBL7857700 0.86 FFAR1 (0.37) FFAR1ACACBCYP2A6FFAR4CHRM2
SCHEMBL7851693 0.86 FFAR1 (0.43) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL7859874 0.85 HSD17B10 (0.46) FFAR1FFAR4CHRM2LMNARARA
SCHEMBL7851486 0.85 TSHR (0.39) FFAR1ACACBCYP2A6FFAR4CHRM2
SCHEMBL7857615 0.84 TSHR (0.41) FFAR1CYP2A6FFAR4CHRM2LMNA
SCHEMBL7857668 0.84 HSD17B10 (0.48) FFAR1FFAR4CHRM2LMNARARA
SCHEMBL7857654 0.84 TSHR (0.41) FFAR1CYP2A6FFAR4CHRM2LMNA

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