SCHEMBL9303544

SCHEMBL9303544

CC(C)(C)Oc1ccc(C#Cc2ccc(OC(C)(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.56
APP P05067 3/20 0.45
KCNH2 Q12809 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KIF11 P52732 1/20 0.36
FFAR1 O14842 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 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
SCHEMBL9304283 0.89 ACACB (0.49) ACACBAPPKCNH2FFAR1
SCHEMBL18245069 0.87 ACACB (0.46) ACACBAPPKCNH2SLC6A2SLC6A4
SCHEMBL26746 0.84 SLC6A2 (0.44) ACACBSLC6A2SLC6A4SLC6A3KIF11
SCHEMBL17370240 0.83 L3MBTL1 (0.49) ACACBAPP
SCHEMBL3019809 0.83 ACACB (0.44) ACACBAPPSLC6A2SLC6A4SLC6A3
SCHEMBL435736 0.81 KIF11 (0.47) ACACBKIF11
SCHEMBL3680428 0.81 ACACB (0.45) ACACBSLC6A2SLC6A4SLC6A3KIF11
SCHEMBL3018959 0.81 ACACB (0.41) ACACBSLC6A2SLC6A4SLC6A3KIF11
SCHEMBL27712194 0.81 SLC6A2 (0.42) ACACBSLC6A2SLC6A4SLC6A3KIF11
SCHEMBL15382504 0.80 ACACB (0.56) ACACB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374701-A Crosslinkable polymers of high strength free of structural defects HAY ALLAN S (CA) 1994-12-20 US disclosed
US-5233046-A DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALLAN S (CA) 1993-08-03 US disclosed
WO-1993009079-A1 DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALAN S (CA) 1993-05-13 WO disclosed