SCHEMBL16631365

SCHEMBL16631365

Cc1ccc(C#Cc2cccc(CCC=O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
FFAR1 O14842 14/20 0.46
KCNH2 Q12809 1/20 0.39
PTGES O14684 2/20 0.38
FFAR4 Q5NUL3 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 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
SCHEMBL3859050 0.81 CA12 (0.47) CA12CA1CA2CA9FFAR1
SCHEMBL3456401 0.78 ACACB (0.46) FFAR1PTGESFFAR4
SCHEMBL16631499 0.77 CA12 (0.50) CA12CA1CA2CA9FFAR1
SCHEMBL233927 0.77 CA12 (0.48) CA12CA1CA2CA9FFAR1
SCHEMBL65650 0.77 TAAR1 (0.57)
SCHEMBL13680790 0.76 FFAR1 (0.45) FFAR1
SCHEMBL27941338 0.76 CA12 (0.46) CA12CA1CA2CA9FFAR1
SCHEMBL2556190 0.76 GLA (0.47) FFAR1KCNH2FFAR4MEN1KMT2A
SCHEMBL29013833 0.75 TAAR1 (0.55)
SCHEMBL29807940 0.75 TAAR1 (0.55) ALDH1A1

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
WO-2015051045-A2 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed