SCHEMBL7858729

SCHEMBL7858729

CCCCc1ccc(C#Cc2ccc(C#Cc3ccc(CCC)cc3)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.37
ACACB O00763 4/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FFAR4 Q5NUL3 2/20 0.35
TYR P14679 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
MMP25 Q9NPA2 1/20 0.34
PTPN11 Q06124 1/20 0.33
PTPRO Q16827 1/20 0.33
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

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
SCHEMBL7861635 0.96 HSD17B10 (0.42) FFAR1ACACBTSHRHSD17B10FFAR4
SCHEMBL7859806 0.96 HSD17B10 (0.41) FFAR1TSHRHSD17B10FFAR4TYR
SCHEMBL7858730 0.94 HSD17B10 (0.44) FFAR1ACACBTSHRHSD17B10FFAR4
SCHEMBL7858631 0.94 HSD17B10 (0.44) FFAR1ACACBTSHRHSD17B10FFAR4
SCHEMBL7861098 0.94 HSD17B10 (0.40) FFAR1ACACBTSHRHSD17B10FFAR4
SCHEMBL7859973 0.93 HSD17B10 (0.46) FFAR1TSHRHSD17B10FFAR4PTPN11
SCHEMBL7857657 0.93 HSD17B10 (0.46) FFAR1TSHRHSD17B10FFAR4PTPN11
SCHEMBL7851732 0.93 FFAR1 (0.40) FFAR1ACACBFFAR4CHRM2S1PR1
SCHEMBL7858720 0.92 HSD17B10 (0.48) FFAR1TSHRHSD17B10FFAR4TYR
SCHEMBL7861890 0.92 HSD17B10 (0.48) FFAR1TSHRHSD17B10FFAR4TYR

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