SCHEMBL29178472

SCHEMBL29178472

Cc1ccc2c(-c3ccccc3)cc(=O)oc2c1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.74
CA9 Q16790 6/20 0.74
TNF P01375 1/20 0.74
NOD2 Q9HC29 1/20 0.74
NOD1 Q9Y239 1/20 0.74
CYP1A2 P05177 2/20 0.63
CYP1B1 Q16678 2/20 0.63
CYP1A1 P04798 1/20 0.63
KCNA3 P22001 6/20 0.61
KMT2A Q03164 2/20 0.60
PSMD14 O00487 1/20 0.58
MMP2 P08253 1/20 0.58
BLM P54132 1/20 0.58
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
HSP90AA1 P07900 1/20 0.56
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54

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
SCHEMBL12722537 0.85 CA12 (0.70) CA12CA9TNFNOD2NOD1
SCHEMBL18073979 0.85 CA12 (1.00) CA12CA9TNFNOD2NOD1
SCHEMBL18073946 0.85 CA12 (0.70) CA12CA9TNFNOD2NOD1
SCHEMBL18074145 0.79 KCNA3 (0.70) CA12CA9TNFNOD2NOD1
SCHEMBL18073906 0.79 KCNA3 (0.76) CA12CA9TNFNOD2NOD1
SCHEMBL15460020 0.77 CA12 (0.53) CA12CA9TNFNOD2NOD1
SCHEMBL12722538 0.77 CA12 (0.53) CA12CA9TNFNOD2NOD1
SCHEMBL18073912 0.77 KCNA3 (0.67) CA12CA9TNFNOD2NOD1
SCHEMBL18074134 0.76 KCNA3 (1.00) CA12CA9TNFNOD2NOD1
SCHEMBL12722535 0.76 CA12 (0.52) CA12CA9TNFNOD2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117461639-A Application of coumarin compound in preventing and treating citrus yellow dragon disease or killing psyllids 赣南师范大学 2024-01-30 CN claimed
CN-117461639-A Application of coumarin compound in preventing and treating citrus yellow dragon disease or killing psyllids 赣南师范大学 2024-01-30 CN disclosed