SCHEMBL21616546

SCHEMBL21616546

C=Cc1ccc2c(c1)C(=O)OC2=O.O=COC=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TRPA1 O75762 1/20 0.31

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
SCHEMBL92283 0.89 TDP1 (0.46) ALDH1A1TDP1ALOX15KDM4EHPGD
SCHEMBL29376322 0.89 TDP1 (0.46) ALDH1A1TDP1ALOX15KDM4EHPGD
Di(Hydroxyethyl)Ether SCHEMBL27766202 0.78 ALDH1A1 (0.34) ALDH1A1TDP1ALOX15MEN1POLB
SCHEMBL4547116 0.76 TDP1 (0.48) ALDH1A1TDP1ALOX15KDM4EHPGD
Phthalic Anhydride SCHEMBL28170331 0.76 TDP1 (0.67) ALDH1A1TDP1ALOX15KDM4EHPGD
SCHEMBL13393166 0.75 MAOA (0.45) ALDH1A1TDP1ALOX15L3MBTL1
SCHEMBL12337781 0.74 TDP1 (0.50) ALDH1A1TDP1ALOX15KDM4EHPGD
SCHEMBL12314487 0.74 TDP1 (0.50) ALDH1A1TDP1ALOX15KDM4EHPGD
SCHEMBL28269539 0.71 TDP1 (0.39) ALDH1A1TDP1ALOX15KDM4EHPGD
SCHEMBL6006356 0.69 KMT2A (0.40) ALDH1A1KDM4EHPGDMEN1KMT2A

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
WO-2020011062-A1 EPOXY MODIFIED ACRYLIC RESIN AND PREPARATION METHOD THEREFOR, AND ENERGY-CURABLE COMPOSITION CONTAINING EPOXY MODIFIED ACRYLIC RESIN AND APPLICATION 常州强力电子新材料股份有限公司 2020-01-16 — — WO disclosed
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