SCHEMBL11549658

SCHEMBL11549658

CCC(C)(O)C#Cc1ccc(-c2ccccc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
GRIA4 P48058 5/20 0.36
GRIA2 P42262 1/20 0.36
XIAP P98170 1/20 0.35
BIRC2 Q13490 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MME P08473 1/20 0.34
PDK2 Q15119 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 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
SCHEMBL11549464 0.85 HTT (0.50) MAPTNPC1RAB9APKMHTT
SCHEMBL11555183 0.83 MAPT (0.42) MAPTNPC1RAB9AHTTALDH1A1
SCHEMBL11553028 0.83 MAPT (0.42) MAPTGRIA4GRIA2PDK2USP7
SCHEMBL11549319 0.80 MAPT (0.41) MAPTHTTKDM4E
SCHEMBL11048323 0.78 MAPT (0.64) MAPTNPC1RAB9APKMHTT
SCHEMBL11548494 0.77 PARP10 (0.43) MAPTHTTL3MBTL1NPSR1
SCHEMBL11550786 0.76 ESR2 (0.45) MAPTGRIA4GRIA2CTSLCTSB
SCHEMBL11551871 0.74 NPSR1 (0.43) MAPTNPC1RAB9APKMALDH1A1
SCHEMBL11551589 0.74 MAPT (0.41) MAPTALDH1A1
SCHEMBL11550517 0.74 MAPT (0.41) MAPTL3MBTL1NPSR1LMNA

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