SCHEMBL15980423

SCHEMBL15980423

CCCCCc1cc(F)c(C#Cc2ccc(-c3ccc(CCCC)cc3)cc2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
TSHR P16473 1/20 0.52
RARB P10826 10/20 0.48
RARA P10276 2/20 0.48
RARG P13631 1/20 0.48
HTR2A P28223 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
PTPN11 Q06124 1/20 0.39
PTPRO Q16827 1/20 0.39
GPR84 Q9NQS5 2/20 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

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
SCHEMBL14846051 0.97 TSHR (0.48) HSD17B10TSHRRARBRARARARG
SCHEMBL8755397 0.96 HSD17B10 (0.51) HSD17B10TSHRRARBRARARARG
SCHEMBL15980421 0.94 TSHR (0.46) HSD17B10TSHRRARBRARARARG
SCHEMBL14365592 0.94 TSHR (0.46) HSD17B10TSHRRARBRARARARG
SCHEMBL8755106 0.93 HSD17B10 (0.48) HSD17B10TSHRRARBRARARARG
SCHEMBL28289825 0.93 HSD17B10 (0.51) HSD17B10TSHRRARBRARARARG
SCHEMBL19999384 0.92 TSHR (0.51) HSD17B10TSHRRARBRARARARG
SCHEMBL15980422 0.92 HSD17B10 (0.46) HSD17B10TSHRRARBRARARARG
SCHEMBL8755306 0.92 TSHR (0.42) HSD17B10TSHRRARBRARARARG
SCHEMBL7861613 0.92 HSD17B10 (0.44) HSD17B10TSHRRARBRARARARG

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-9493703-B2 Liquid crystal medium and high-frequency components comprising same MERCK PATENT GMBH (DE) 2016-11-15 US disclosed
US-20140239227-A1 LIQUID CRYSTAL MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2014-08-28 US disclosed