SCHEMBL11550355

SCHEMBL11550355

CCC(C)(O)C#Cc1ccc(Oc2ccccc2Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SLC6A4 P31645 3/20 0.34
HAO1 Q9UJM8 2/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
LMNA P02545 2/20 0.33
RIPK1 Q13546 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NR3C1 P04150 1/20 0.32
LTA4H P09960 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CDK5 Q00535 1/20 0.31

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
SCHEMBL11556176 0.86 HAO1 (0.44) MAPTL3MBTL1SLC6A4HAO1SLC6A2
SCHEMBL11548494 0.84 PARP10 (0.43) MAPTL3MBTL1NPSR1HTT
SCHEMBL11553523 0.84 LPAR1 (0.40) MAPTL3MBTL1NPSR1
SCHEMBL11556810 0.82 MAPT (0.38) MAPTL3MBTL1HAO1LMNAALDH1A1
SCHEMBL11550385 0.79 MAPT (0.38) MAPTL3MBTL1HAO1LMNALTA4H
SCHEMBL11298354 0.78 MMP2 (0.41) MAPTLMNAALDH1A1HTT
SCHEMBL11552067 0.78 CYP2C9 (0.39) MAPTNPSR1HAO1LMNAALDH1A1
SCHEMBL11555183 0.77 MAPT (0.42) MAPTRIPK1ALDH1A1MAPK1HTT
SCHEMBL11551760 0.76 MAPT (0.38) MAPTL3MBTL1HAO1MEN1KMT2A
SCHEMBL11048323 0.75 MAPT (0.64) MAPTNPSR1LMNAMEN1KMT2A

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