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Sugi Predict / Compounds / SCHEMBL28672573

SCHEMBL28672573

SCHEMBL28672573

COC(CCOc1ccc(-c2c3nc(c(Cl)c4ccc([nH]4)c(-c4ccc(OCCC(CC(=O)O)OC)cc4)c4nc(c(Cl)c5ccc2[nH]5)C=C4)C=C3)cc1)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYCS P99999 4/20 0.47
▸ TOP1 P11387 4/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ ENPP2 Q13822 1/20 0.37
▸ TERT O14746 3/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ PTGS2 P35354 3/20 0.33

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
SCHEMBL28680662 0.92 CYCS (0.44) CYCSTOP1ABCG2ENPP2TERT
SCHEMBL28693627 0.91 CYCS (0.43) CYCSTOP1ABCG2ENPP2TERT
SCHEMBL28669582 0.89 CYCS (0.47) CYCSTOP1ABCG2ENPP2TERT
SCHEMBL28665759 0.84 ABCG2 (0.42) CYCSTOP1ABCG2ENPP2TERT
SCHEMBL28672575 0.83 CYCS (0.38) CYCSTOP1ABCG2MMP12
SCHEMBL28675065 0.81 CYCS (0.43) CYCSTOP1ABCG2ENPP2TERT
SCHEMBL28671049 0.81 CYCS (0.43) CYCSTOP1ABCG2ENPP2TERT
SCHEMBL28689712 0.79 TERT (0.40) CYCSTOP1ABCG2ENPP2TERT
SCHEMBL28675056 0.79 TOP1 (0.47) CYCSTOP1ABCG2ENPP2TERT
SCHEMBL28680656 0.79 TERT (0.39) CYCSTOP1ABCG2ENPP2TERT

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-113831351-A Novel tetrapyrrole derivatives and application thereof 上海先辉医药科技有限公司 2021-12-24 — — CN claimed
CN-113831351-A Novel tetrapyrrole derivatives and application thereof 上海先辉医药科技有限公司 2021-12-24 — — CN disclosed
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