SCHEMBL11550385

SCHEMBL11550385

CCC(C)(O)C#Cc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
HAO1 Q9UJM8 4/20 0.37
PPARA Q07869 5/20 0.35
PPARD Q03181 3/20 0.35
PPARG P37231 2/20 0.35
ALOX5 P09917 1/20 0.35
ACACB O00763 1/20 0.35
LTA4H P09960 3/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL11548880 0.86 NPC1 (0.39) MAPTHAO1ALOX5ACACBMMP2
SCHEMBL11549319 0.86 MAPT (0.41) MAPTACACB
SCHEMBL11551760 0.85 MAPT (0.38) MAPTHAO1PPARALTA4HNPC1
SCHEMBL11556810 0.85 MAPT (0.38) MAPTHAO1LTA4HNPC1RAB9A
SCHEMBL11548494 0.85 PARP10 (0.43) MAPTL3MBTL1
SCHEMBL11552961 0.84 HAO1 (0.49) MAPTHAO1ALOX5MMP1MMP2
SCHEMBL11294629 0.81 SMN1; SMN2 (0.41) MAPTHAO1MMP2MMP9MMP13
SCHEMBL11550355 0.79 MAPT (0.40) MAPTHAO1LTA4HLMNAL3MBTL1
SCHEMBL11553523 0.79 LPAR1 (0.40) MAPTPPARAPPARDPPARGL3MBTL1
SCHEMBL11552212 0.78 AR (0.40) MAPTHAO1NPC1RAB9A

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