SCHEMBL18089677

SCHEMBL18089677

CC(C)(C)OC(=O)Oc1c(Br)ccc(OC(F)F)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.35
▸ PDE4D Q08499 2/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CA2 P00918 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
SCHEMBL18089428 0.87 ELANE (0.40) ELANEAAK1MEN1HTTKMT2A
SCHEMBL18089676 0.82 ELANE (0.33) ELANECA2
SCHEMBL17410803 0.81 TSHR (0.40) ELANEAAK1MEN1HTTKMT2A
SCHEMBL17410802 0.79 ELANE (0.40) ELANEMEN1HTTKMT2ACA2
SCHEMBL18857950 0.77 ELANE (0.41) ELANEAAK1MEN1HTTKMT2A
SCHEMBL31006018 0.77 ELANE (0.41) ELANEAAK1MEN1HTTKMT2A
SCHEMBL23414048 0.75 ELANE (0.39) ELANECA2
SCHEMBL18675818 0.75 MTNR1A (0.39) ELANEMEN1HTTKMT2ACA2
SCHEMBL18089675 0.74 AAK1 (0.31) AAK1
SCHEMBL29570260 0.72 KMT2A (0.35) PDE4DMEN1HTTKMT2A

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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