SCHEMBL11551623

SCHEMBL11551623

CC(C)(O)C#Cc1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 3/20 0.49
▸ LMNA P02545 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ ASIC3 Q9UHC3 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ TBXA2R P21731 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PTGES2 Q9H7Z7 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ APP P05067 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ LTA4H P09960 1/20 0.34

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
SCHEMBL8620900 0.89 ASIC3 (0.44) HAO1LMNAL3MBTL1MAPTASIC3
SCHEMBL11548721 0.85 HAO1 (0.43) HAO1LMNAL3MBTL1MAPTASIC3
SCHEMBL11556810 0.84 MAPT (0.38) HAO1LMNAL3MBTL1MAPTALDH1A1
SCHEMBL11216394 0.84 ASIC3 (0.41) HAO1LMNAL3MBTL1MAPTASIC3
SCHEMBL11552961 0.83 HAO1 (0.49) HAO1LMNAL3MBTL1MAPTASIC3
SCHEMBL11554919 0.83 HAO1 (0.49) HAO1LMNAL3MBTL1MAPTASIC3
SCHEMBL11556176 0.80 HAO1 (0.44) HAO1LMNAL3MBTL1MAPTASIC3
SCHEMBL12391039 0.79 ASIC3 (0.50) HAO1LMNAL3MBTL1MAPTASIC3
SCHEMBL11298069 0.79 HAO1 (0.49) HAO1LMNAL3MBTL1MAPTALDH1A1
SCHEMBL11300267 0.79 HAO1 (0.49) HAO1LMNAL3MBTL1MAPTALDH1A1

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-4151294-A Alkynols and process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-04-24 — — US disclosed
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