SCHEMBL13627686

SCHEMBL13627686

C#CCN(CC#C)c1ccc(CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
PYCR1 P32322 8/20 0.37
IGLV6-57 P01721 1/20 0.36
TSHR P16473 1/20 0.36
MAOB P27338 1/20 0.35
DHFR P00374 3/20 0.34
KCNQ4 P56696 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
SCHEMBL13338103 0.84 CA12 (0.63) CA12CA1CA2CA4CA7
SCHEMBL23960143 0.79 CA12 (0.50) CA12CA1CA2CA4CA7
SCHEMBL21755799 0.79 CA12 (0.50) CA12CA1CA2CA4CA7
SCHEMBL10126415 0.78 CA12 (0.53) CA12CA1CA2CA4CA7
SCHEMBL22680861 0.75 MAOB (0.46) CA12CA1CA2CA4CA7
SCHEMBL31327481 0.74 CA12 (0.53) CA12CA1CA2CA4CA7
SCHEMBL17076687 0.74 CA12 (0.58) CA12CA1CA2CA4CA7
SCHEMBL121718 0.74 CA12 (0.53) CA12CA1CA2CA4CA7
SCHEMBL10430153 0.73 CA12 (0.52) CA12CA1CA2CA4CA7
SCHEMBL10126418 0.72 CA1 (0.51) CA12CA1CA2CA4CA7

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-7612153-B2 conjugate polymer drugs; endcapped polyethers; nontoxic, biocompatible, non-immunogenic, soluble in water and other solvents INTEZYNE TECHNOLOGIES, INC. (US) 2009-11-03 US disclosed