SCHEMBL21753720

SCHEMBL21753720

C=CC(=O)Oc1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
TP53 P04637 1/20 0.57
EPHX1 P07099 1/20 0.57
TSHR P16473 1/20 0.57
EPHX2 P34913 1/20 0.57
CDK9 P50750 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
MAPT P10636 3/20 0.56
TGM2 P21980 2/20 0.55
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
GPR174 Q9BXC1 1/20 0.54
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53

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
SCHEMBL8995794 0.86 ALDH1A1 (0.64) SMN1; SMN2TSHRMAPTTGM2CASP3
SCHEMBL30557271 0.86 RAB9A (0.55) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL30557302 0.81 KMT2A (0.50) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL28916 0.80 THRB (0.58) SMN1; SMN2TP53MAPTTGM2MAOB
Hydrogen Peroxide SCHEMBL28479331 0.80 THRB (0.58) SMN1; SMN2TP53MAPTTGM2MAOB
SCHEMBL22356450 0.80 MAPT (0.51) MAPTTGM2KMT2AALDH1A1GAA
SCHEMBL22356481 0.80 MAPT (0.51) MAPTTGM2KMT2AALDH1A1GAA
SCHEMBL22356482 0.80 MAPT (0.51) MAPTTGM2KMT2AALDH1A1GAA
SCHEMBL22356446 0.80 MAPT (0.51) MAPTTGM2KMT2AALDH1A1GAA
SCHEMBL6270046 0.79 GAA (0.74) SMN1; SMN2TP53EPHX1TSHREPHX2

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-112533967-B Oil-in-water droplet type emulsion of active energy ray-curable resin composition and thermosensitive recording material 日本化药株式会社 2023-09-15 CN disclosed
WO-2020039601-A1 OIL-IN-WATER TYPE EMULSION OF ACTINIC-RAY-CURABLE RESIN COMPOSITION, AND THERMAL RECORDING MATERIAL 日本化薬株式会社 2020-02-27 WO disclosed