SCHEMBL15635751

SCHEMBL15635751

O=C(O)C[C@H](NC(=O)c1cc(O)n(-c2ccccc2Cl)n1)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 17/20 0.56
▸ CYP26A1 O43174 2/20 0.46
▸ EGLN2 Q96KS0 1/20 0.45
▸ EGLN1 Q9GZT9 1/20 0.45

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
SCHEMBL15636345 0.93 CTSA (0.57) CTSACYP26A1
SCHEMBL15636367 0.92 CTSA (0.57) CTSACYP26A1
SCHEMBL15636162 0.92 CTSA (0.57) CTSACYP26A1
SCHEMBL16223856 0.92 CTSA (0.57) CTSACYP26A1
SCHEMBL15637564 0.91 CYP26A1 (0.56) CTSACYP26A1
SCHEMBL15635913 0.90 EGLN2 (0.50) CTSACYP26A1EGLN2EGLN1
SCHEMBL15635857 0.90 EGLN2 (0.47) CTSACYP26A1EGLN2EGLN1
SCHEMBL15636851 0.90 CTSA (0.50) CTSACYP26A1
SCHEMBL15636606 0.90 CTSA (0.52) CTSA
SCHEMBL15636318 0.90 CTSA (0.60) CTSACYP26A1EGLN2EGLN1

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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