SCHEMBL11548830

SCHEMBL11548830

CC(C)(O)C#Cc1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.50
KCNH2 Q12809 1/20 0.47
ESR2 Q92731 1/20 0.45
ALOX5 P09917 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
ASIC3 Q9UHC3 1/20 0.42
PTGES O14684 1/20 0.41
TBXAS1 P24557 1/20 0.41
MAOB P27338 2/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FFAR1 O14842 1/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL11551942 0.85 PGR (0.46) PGRKCNH2ESR2ALOX5TAAR1
SCHEMBL11554460 0.83 MAPT (0.51) KCNH2ALOX5MEN1RECQLKMT2A
SCHEMBL1477501 0.82 KCNH2 (0.50) PGRKCNH2MEN1RECQLKMT2A
SCHEMBL11549060 0.81 ASIC3 (0.42) KCNH2MEN1KMT2AASIC3MAPT
SCHEMBL11548872 0.81 ESR2 (0.50) ESR2TAAR1ASIC3FFAR1
SCHEMBL11549280 0.80 PGR (0.46) PGRKCNH2ESR2ALOX5TAAR1
SCHEMBL17616893 0.79 ASIC3 (0.43) KMT2AASIC3MAPTSMN1; SMN2
SCHEMBL11549951 0.78 HAO1 (0.43) PGRMEN1RECQLKMT2AASIC3
SCHEMBL11217017 0.77 MAPT (0.55) KCNH2MEN1RECQLKMT2AASIC3
SCHEMBL12391039 0.75 ASIC3 (0.50) KMT2AASIC3MAPTSMN1; SMN2

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