SCHEMBL18089428

SCHEMBL18089428

CC(C)(C)OC(=O)Oc1ccc(Br)c(OC(=O)OC(C)(C)C)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.40
▸ CA2 P00918 2/20 0.33
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ CFD P00746 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 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
SCHEMBL31006018 0.90 ELANE (0.41) ELANECA2MTNR1AMTNR1BBRD4
SCHEMBL18857950 0.90 ELANE (0.41) ELANECA2MTNR1AMTNR1BBRD4
SCHEMBL17410803 0.88 TSHR (0.40) ELANEAAK1CA9KDM4EHPGD
SCHEMBL18089677 0.87 ELANE (0.35) ELANECA2AAK1MEN1HTT
SCHEMBL17410802 0.85 ELANE (0.40) ELANECA2CA12CA1CA7
SCHEMBL18675818 0.81 MTNR1A (0.39) ELANECA2MTNR1AMTNR1BCA12
SCHEMBL18089427 0.79 ELANE (0.37) ELANECA2BRD4
SCHEMBL23414048 0.78 ELANE (0.39) ELANECA2CA12CA1CA9
SCHEMBL18857968 0.78 KMT2A (0.37) ELANEBRD4AAK1CA9HSD17B10
SCHEMBL18857953 0.77 ELANE (0.40) ELANECA2CA12CA1CA7

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-2016149393-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2016-09-22 — — WO disclosed
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