SCHEMBL8014883

SCHEMBL8014883

CCCCCCc1ccc(C#Cc2ccc(C#Cc3ccc(CCCC)c(F)c3)cc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
HTR2A P28223 1/20 0.41
FFAR1 O14842 9/20 0.40
FFAR4 Q5NUL3 8/20 0.40
PTPN11 Q06124 1/20 0.39
PTPRO Q16827 1/20 0.39
RARB P10826 3/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7859972 1.00 HSD17B10 (0.42) HSD17B10TSHRHTR2AFFAR1FFAR4
SCHEMBL7851475 1.00 HSD17B10 (0.42) HSD17B10TSHRHTR2AFFAR1FFAR4
SCHEMBL7858539 1.00 HSD17B10 (0.42) HSD17B10TSHRHTR2AFFAR1FFAR4
SCHEMBL7859950 1.00 HSD17B10 (0.42) HSD17B10TSHRHTR2AFFAR1FFAR4
SCHEMBL7857807 1.00 HSD17B10 (0.42) HSD17B10TSHRHTR2AFFAR1FFAR4
SCHEMBL7858576 1.00 HSD17B10 (0.42) HSD17B10TSHRHTR2AFFAR1FFAR4
SCHEMBL7861649 1.00 HSD17B10 (0.42) HSD17B10TSHRHTR2AFFAR1FFAR4
SCHEMBL7861622 0.99 FFAR1 (0.41) HSD17B10TSHRHTR2AFFAR1FFAR4
SCHEMBL7857754 0.99 HSD17B10 (0.43) HSD17B10TSHRHTR2AFFAR1FFAR4
SCHEMBL7858837 0.99 HSD17B10 (0.43) HSD17B10TSHRHTR2AFFAR1FFAR4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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