SCHEMBL11216394

SCHEMBL11216394

CC(C)(O)C#Cc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASIC3 Q9UHC3 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ HTT P42858 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HAO1 Q9UJM8 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ LSS P48449 1/20 0.36
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ PTGES2 Q9H7Z7 3/20 0.35
▸ MAP3K14 Q99558 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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 0.94 ASIC3 (0.44) ASIC3L3MBTL1LMNAMAPTHTT
Bicarbonate SCHEMBL28546564 0.87 HAO1 (0.45) ASIC3L3MBTL1LMNAMAPTHTT
SCHEMBL17616893 0.84 ASIC3 (0.43) ASIC3L3MBTL1LMNAMAPTHTT
SCHEMBL11551623 0.84 HAO1 (0.49) ASIC3L3MBTL1LMNAMAPTHTT
SCHEMBL12391039 0.83 ASIC3 (0.50) ASIC3L3MBTL1LMNAMAPTHTT
SCHEMBL11549060 0.83 ASIC3 (0.42) ASIC3L3MBTL1LMNAMAPTHTT
SCHEMBL12711693 0.82 MMP3 (0.47) ASIC3L3MBTL1LMNAMAPTHTT
SCHEMBL11551589 0.82 MAPT (0.41) MAPTALDH1A1MAPK1LSSCYP1A1
SCHEMBL11554460 0.81 MAPT (0.51) ASIC3L3MBTL1LMNAMAPTHTT
SCHEMBL11550210 0.81 TNIK (0.45) ASIC3L3MBTL1LMNAMAPTHTT

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-4322432-A Cyclopropanecarboxylic acid alkynyl esters, processes for producing them, and their use as pesticides CIBA-GEIGY CORPORATION (US) 1982-03-30 — — US disclosed
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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