SCHEMBL11322795

SCHEMBL11322795

C=CCOc1ccc(C(O)(O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA9 Q16790 2/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
NPC1 O15118 4/20 0.45
MAPT P10636 4/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 1/20 0.44
CHRNB2 P17787 3/20 0.43
CHRNB4 P30926 3/20 0.43
CHRNA3 P32297 3/20 0.43
CHRNA4 P43681 3/20 0.43
GAA P10253 1/20 0.43

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
1,4-Diallyloxybenzene SCHEMBL302448 0.82 CA12 (0.63) CA12CA1CA9CA2CA7
Formic Acid SCHEMBL15743043 0.80 ALDH1A1 (0.46) CA12CA1CA9CA2CA7
SCHEMBL1815826 0.80 CA12 (0.42) CA12CA1CA9CA2CA7
SCHEMBL4570343 0.80 CA12 (0.49) CA12CA1CA9CA2CA7
SCHEMBL6232531 0.80 SMN1; SMN2 (0.50) CA12CA1CA9CA2CA7
SCHEMBL1400474 0.80 CA12 (0.49) CA12CA1CA9CA2CA7
SCHEMBL827011 0.80 CA12 (0.49) CA12CA1CA9CA2CA7
SCHEMBL824168 0.80 CA12 (0.49) CA12CA1CA9CA2CA7
SCHEMBL23266728 0.77 CA12 (0.46) CA12CA1CA9CA2CA7
SCHEMBL827568 0.77 MAPT (0.47) CA12CA1CA9CA2CA7

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-4277383-A CORROSION RESISTANCE, WATERPROOFING, FLEXIBILITY DAI NIPPON TORYO CO., LTD (JP) 1981-07-07 US disclosed