SCHEMBL9743155

SCHEMBL9743155

CCCCCc1ccc2cc(C#Cc3ccc(-c4ccc(CCC)cc4)cc3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
RARB P10826 8/20 0.43
ASIC3 Q9UHC3 1/20 0.43
HRH3 Q9Y5N1 5/20 0.43
RARA P10276 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MTOR P42345 1/20 0.42
KMT2A Q03164 1/20 0.42
RARG P13631 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
PLAU P00749 1/20 0.40

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
SCHEMBL9743138 1.00 TSHR (0.54) TSHRHSD17B10RARBASIC3HRH3
SCHEMBL9742431 0.99 HSD17B10 (0.56) TSHRHSD17B10RARBASIC3HRH3
SCHEMBL9743873 0.99 HSD17B10 (0.56) TSHRHSD17B10RARBASIC3HRH3
SCHEMBL9745311 0.99 HSD17B10 (0.56) TSHRHSD17B10RARBASIC3HRH3
SCHEMBL9743775 0.97 TSHR (0.56) TSHRHSD17B10RARBASIC3HRH3
SCHEMBL9741967 0.96 HSD17B10 (0.59) TSHRHSD17B10RARBASIC3HRH3
SCHEMBL9742379 0.96 TSHR (0.48) TSHRHSD17B10RARBASIC3HRH3
SCHEMBL9743082 0.96 TSHR (0.55) TSHRHSD17B10RARBASIC3HRH3
SCHEMBL9744004 0.96 HSD17B10 (0.59) TSHRHSD17B10RARBASIC3HRH3
SCHEMBL9742426 0.96 HSD17B10 (0.59) TSHRHSD17B10RARBASIC3HRH3

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