SCHEMBL9744004

SCHEMBL9744004

CCCCCCCCc1ccc(-c2ccc(C#Cc3ccc4cc(CCCCC)ccc4c3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.59
TSHR P16473 1/20 0.59
RARB P10826 8/20 0.47
RARA P10276 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
MTOR P42345 1/20 0.47
KMT2A Q03164 1/20 0.47
ASIC3 Q9UHC3 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
RARG P13631 1/20 0.44
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL9741967 1.00 HSD17B10 (0.59) HSD17B10TSHRRARBRARAALDH1A1
SCHEMBL9742426 1.00 HSD17B10 (0.59) HSD17B10TSHRRARBRARAALDH1A1
SCHEMBL9743775 0.98 TSHR (0.56) HSD17B10TSHRRARBRARAALDH1A1
SCHEMBL9743873 0.97 HSD17B10 (0.56) HSD17B10TSHRRARBRARAALDH1A1
SCHEMBL9742431 0.97 HSD17B10 (0.56) HSD17B10TSHRRARBRARAALDH1A1
SCHEMBL9745311 0.97 HSD17B10 (0.56) HSD17B10TSHRRARBRARAALDH1A1
SCHEMBL9743082 0.97 TSHR (0.55) HSD17B10TSHRRARBRARAALDH1A1
SCHEMBL9743138 0.96 TSHR (0.54) HSD17B10TSHRRARBRARAALDH1A1
SCHEMBL9743155 0.96 TSHR (0.54) HSD17B10TSHRRARBRARAALDH1A1
SCHEMBL9745470 0.95 HSD17B10 (0.51) HSD17B10TSHRALDH1A1MEN1KMT2A

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
US-5084204-A Naphthylacetylenes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-01-28 US disclosed