SCHEMBL28312969

SCHEMBL28312969

CC(O)(C(=O)O)c1cc2ccccc2oc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.54
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
CA1 P00915 1/20 0.54
CA3 P07451 1/20 0.54
TSHR P16473 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
GPR35 Q9HC97 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
KDM4E B2RXH2 6/20 0.53
CYP1A2 P05177 3/20 0.53
NT5E P21589 1/20 0.53
MAOA P21397 4/20 0.52
HPGD P15428 3/20 0.50
TYR P14679 1/20 0.50
DAO P14920 1/20 0.50

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
SCHEMBL837687 0.80 HPGD (0.55) MAOBCA12CA9CA1CA3
SCHEMBL24312138 0.78 HPGD (0.51) MAOBCA12CA9CA1CA3
SCHEMBL18554665 0.78 HPGD (0.56) MAOBCA12CA9CA1CA3
SCHEMBL7963724 0.78 HPGD (0.56) MAOBCA12CA9CA1CA3
SCHEMBL7544470 0.74 HPGD (0.55) MAOBCA12CA9CA1CA3
SCHEMBL383681 0.74 HPGD (0.55) MAOBCA12CA9CA1CA3
SCHEMBL15842660 0.74 HPGD (0.55) MAOBCA12CA9CA1CA3
Ammonia Solution, Strong SCHEMBL6994460 0.72 HPGD (0.53) MAOBCA12CA9CA1CA3
Bicarbonate SCHEMBL8424367 0.72 MAOB (0.62) MAOBCA12CA9CA1CA3
Dimethylamine SCHEMBL5140932 0.72 HPGD (0.49) MAOBCA12CA9CA1CA3

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
CN-110157251-A Curing agent composition and coating composition comprising it KCC公司 2019-08-23 CN disclosed