SCHEMBL15636384

SCHEMBL15636384

O=C(O)C[C@H](NC(=O)c1cc(O)n(-c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 10/20 0.53
▸ CYP26A1 O43174 5/20 0.49
▸ EGLN2 Q96KS0 1/20 0.46
▸ EGLN1 Q9GZT9 1/20 0.46
▸ MALT1 Q9UDY8 1/20 0.46

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
SCHEMBL15635631 0.97 CTSA (0.54) CTSACYP26A1EGLN2EGLN1MALT1
SCHEMBL15636227 0.97 CTSA (0.54) CTSACYP26A1EGLN2EGLN1MALT1
SCHEMBL15636942 0.95 CTSA (0.52) CTSACYP26A1
SCHEMBL15636772 0.95 CTSA (0.52) CTSACYP26A1
SCHEMBL15635884 0.95 CTSA (0.52) CTSACYP26A1
SCHEMBL15636670 0.93 EGLN2 (0.49) CTSACYP26A1EGLN2EGLN1
SCHEMBL15636499 0.92 EGLN2 (0.57) CTSACYP26A1EGLN2EGLN1
SCHEMBL15635973 0.92 CTSA (0.54) CTSACYP26A1EGLN2EGLN1MALT1
SCHEMBL15637120 0.92 CTSA (0.50) CTSACYP26A1
SCHEMBL15636828 0.91 CTSA (0.55) CTSACYP26A1EGLN2EGLN1MALT1

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-2014053533-A1 USE OF SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AS PHARMACEUTICALS FOR PREVENTION/TREATMENT OF ATRIAL FIBRILLATION SANOFI (FR) 2014-04-10 — — WO disclosed
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