SCHEMBL15636627

SCHEMBL15636627

O=C(O)CC(NC(=O)c1cc(O)n(-c2ccccc2F)n1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 14/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ MME P08473 2/20 0.55
▸ EGLN2 Q96KS0 6/20 0.47
▸ EGLN1 Q9GZT9 6/20 0.47

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
SCHEMBL15636272 0.92 CTSA (0.47) CTSACYP3A4MMEEGLN2EGLN1
SCHEMBL15635377 0.92 CTSA (0.61) CTSACYP3A4MME
SCHEMBL15636874 0.91 CTSA (0.59) CTSACYP3A4MME
SCHEMBL15635786 0.90 CTSA (0.57) CTSACYP3A4MME
SCHEMBL15636858 0.90 CTSA (0.53) CTSACYP3A4MME
SCHEMBL15637071 0.89 CTSA (0.52) CTSACYP3A4MME
SCHEMBL15637074 0.89 CTSA (0.56) CTSACYP3A4MME
SCHEMBL15635913 0.89 EGLN2 (0.50) CTSAEGLN2EGLN1
SCHEMBL15637062 0.89 CTSA (0.57) CTSACYP3A4MME
SCHEMBL15636581 0.89 CTSA (0.61) CTSACYP3A4MME

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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