SCHEMBL3790720

SCHEMBL3790720

COC(=O)CCc1ccc(OC)c(C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.48
▸ OR51E2 Q9H255 1/20 0.48
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TUBB1 Q9H4B7 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43

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
SCHEMBL28811116 0.87 CYP4F2 (0.52) ALOX5OR51E2KMT2AALDH1A1SMN1; SMN2
SCHEMBL18232227 0.86 PTPN1 (0.43) ALOX5OR51E2KMT2AMAPTALDH1A1
SCHEMBL6407212 0.85 ALDH1A1 (0.49) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL30185945 0.84 CDK1 (0.59) ALOX5OR51E2ALDH1A1GAAPTPN1
SCHEMBL15543678 0.84 CDK1 (0.59) ALOX5OR51E2ALDH1A1GAAPTPN1
SCHEMBL3940302 0.83 KMT2A (0.59) ALOX5OR51E2MEN1KMT2AMAPT
SCHEMBL931031 0.82 MAPT (0.48) ALOX5MEN1KMT2AMAPTALDH1A1
SCHEMBL27836800 0.82 PTPN1 (0.43) ALOX5OR51E2MAPTPOLBPTPN1
SCHEMBL8417759 0.82 PTPN1 (0.42) ALOX5OR51E2MEN1KMT2AMAPT
SCHEMBL20730189 0.81 ERN1 (0.48) MEN1KMT2AMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113174377-B Carbonyl reductase, mutant and application of carbonyl reductase in preparation of diltiazem intermediate 华东理工大学 2022-11-25 — — CN disclosed
CN-113174377-A Carbonyl reductase, mutant and application of carbonyl reductase and mutant in preparation of diltiazem intermediate 华东理工大学 2021-07-27 — — CN disclosed
US-7705040-B2 compositions which specifically react with peroxynitrite rather than other reactive oxygen species and reactive nitrogen species; for measuring peroxynitrite in a sample; high-throughput screening fluorescent methods for detecting peroxynitrite THE UNIVERSITY OF HONG KONG (CN) 2010-04-27 — — US disclosed
US-7705040-B2 compositions which specifically react with peroxynitrite rather than other reactive oxygen species and reactive nitrogen species; for measuring peroxynitrite in a sample; high-throughput screening fluorescent methods for detecting peroxynitrite THE UNIVERSITY OF HONG KONG (CN) 2010-04-27 — — US disclosed
EP-1943254-A1 REAGENTS FOR HIGHLY SPECIFIC DETECTION OF PEROXYNITRITE The University of Hong Kong (CN) 2008-07-16 — — EP disclosed
WO-2007041923-A1 REAGENTS FOR HIGHLY SPECIFIC DETECTION OF PEROXYNITRITE THE UNIVERSITY OF HONG KONG (CN) 2007-04-19 — — WO disclosed
US-20070082403-A1 Reagents for highly specific detection of peroxynitrite VERSITECH LIMITED (HK) 2007-04-12 — — US disclosed
US-20070082403-A1 Reagents for highly specific detection of peroxynitrite VERSITECH LIMITED (HK) 2007-04-12 — — US disclosed
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