SCHEMBL11548494

SCHEMBL11548494

CCC(C)(O)C#Cc1ccc(Oc2ccccc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.43
LPAR1 Q92633 9/20 0.40
LPAR5 Q9H1C0 9/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.39
MMP14 P50281 1/20 0.37
EGLN2 Q96KS0 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL11549075 0.86 HTT (0.47) PARP10LPAR1LPAR5MAPTHTT
SCHEMBL11550385 0.85 MAPT (0.38) MAPTL3MBTL1
SCHEMBL11553523 0.84 LPAR1 (0.40) LPAR1LPAR5MAPTMMP14EGLN2
SCHEMBL11550355 0.84 MAPT (0.40) MAPTHTTNPSR1L3MBTL1
SCHEMBL11298354 0.78 MMP2 (0.41) MAPTHTTMMP14
SCHEMBL11548880 0.78 NPC1 (0.39) MAPTMMP14EGLN2EGLN1
SCHEMBL11549658 0.77 MAPT (0.42) MAPTHTTNPSR1L3MBTL1
SCHEMBL11548222 0.76 PARP10 (0.43) PARP10LPAR1LPAR5HTTEGLN2
SCHEMBL11556810 0.76 MAPT (0.38) MAPTL3MBTL1
SCHEMBL11551760 0.76 MAPT (0.38) MAPTL3MBTL1

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