SCHEMBL31617752

SCHEMBL31617752

COCc1ccc(Br)c(OC(=O)OC(C)(C)C)c1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.36
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ NR1H2 P55055 3/20 0.34
▸ NR1H3 Q13133 3/20 0.34
▸ RXRA P19793 1/20 0.34
▸ BRD4 O60885 2/20 0.32
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CA12 O43570 1/20 0.30

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
SCHEMBL17410727 0.94 ELANE (0.35) ELANEMTNR1AMTNR1BMAPTMEN1
SCHEMBL31617843 0.88 ELANE (0.37) ELANEMTNR1AMTNR1BNR1H2NR1H3
SCHEMBL31617890 0.87 ELANE (0.35) ELANEMTNR1AMTNR1BNR1H2NR1H3
SCHEMBL31617788 0.86 ELANE (0.34) ELANEMTNR1AMTNR1BNR1H2NR1H3
SCHEMBL31617774 0.84 NR1H2 (0.34) ELANENR1H2NR1H3RXRABRD4
SCHEMBL31617783 0.84 NR1H2 (0.38) ELANENR1H2NR1H3RXRABRD4
SCHEMBL31617825 0.84 ELANE (0.33) ELANENR1H2NR1H3RXRA
SCHEMBL31617704 0.84 KDM4E (0.34) ELANENR1H2NR1H3RXRAMAPT
SCHEMBL31617775 0.83 ELANE (0.40) ELANEMAPTKDM4EALDH1A1GLA
SCHEMBL17410723 0.83 ELANE (0.35) ELANEMTNR1AMTNR1BMAPTMEN1

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-2025119216-A1 BORONIC ACID β-LACTAMASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 珠海联邦制药股份有限公司 2025-06-12 — — WO disclosed
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