SCHEMBL15636764

SCHEMBL15636764

O=C(O)C[C@H](NC(=O)c1cc(O)n(-c2ccccc2)n1)c1ccccc1Br

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 4/20 0.62
▸ CTSA P10619 16/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ MME P08473 2/20 0.48

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
SCHEMBL15636648 0.93 CYP26A1 (0.60) CYP26A1CTSACYP3A4MME
SCHEMBL15636407 0.93 CYP26A1 (0.55) CYP26A1CTSACYP3A4MME
SCHEMBL15636870 0.92 CYP26A1 (0.59) CYP26A1CTSA
SCHEMBL15636452 0.91 CYP26A1 (0.53) CYP26A1CTSACYP3A4MME
SCHEMBL15636379 0.88 CYP26A1 (0.54) CYP26A1CTSACYP3A4MME
SCHEMBL15636977 0.88 CTSA (0.61) CYP26A1CTSACYP3A4MME
SCHEMBL15636474 0.87 CTSA (0.60) CTSA
SCHEMBL15636411 0.87 CTSA (0.57) CTSACYP3A4MME
SCHEMBL15636183 0.87 CTSA (0.62) CTSACYP3A4MME
SCHEMBL15636414 0.87 CTSA (0.62) 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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