SCHEMBL11549280

SCHEMBL11549280

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.46
KCNH2 Q12809 2/20 0.44
FFAR1 O14842 1/20 0.41
ESR2 Q92731 1/20 0.41
ALOX5 P09917 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
MAOB P27338 2/20 0.37
SLC6A2 P23975 2/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
ITGA5 P08648 1/20 0.36
CHRNB1 P11230 1/20 0.36

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
SCHEMBL11548937 0.83 ESR2 (0.45) FFAR1ESR2TAAR1MMP1MMP2
SCHEMBL11555860 0.83 FFAR1 (0.43) PGRKCNH2FFAR1ESR2ALOX5
SCHEMBL11552918 0.82 ESR2 (0.45) PGRKCNH2FFAR1ESR2ALOX5
SCHEMBL11550374 0.80 FFAR1 (0.43) PGRKCNH2FFAR1ESR2ALOX5
SCHEMBL11548830 0.80 PGR (0.50) PGRKCNH2FFAR1ESR2ALOX5
SCHEMBL11551466 0.76 CYP17A1 (0.36) FFAR1CYP17A1CYP3A4
SCHEMBL11552611 0.76 ACACB (0.36) MMP1MMP2MMP3MMP7MMP9
SCHEMBL11554876 0.76 CYP2A6 (0.41) FFAR1MAOBALDH1A1CNR2
SCHEMBL11550217 0.76 FFAR1 (0.45) PGRKCNH2FFAR1ESR2ALOX5
SCHEMBL11551942 0.75 PGR (0.46) PGRKCNH2FFAR1ESR2ALOX5

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