SCHEMBL15636535

SCHEMBL15636535

COc1ccc(C(F)(F)F)cc1C(CC(=O)O)NC(=O)c1cc(O)n(-c2ccccc2Cl)n1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 20/20 0.60
▸ MME P08473 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51

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
SCHEMBL15635920 0.92 CTSA (0.62) CTSAMMECYP3A4
SCHEMBL2319199 0.91 CTSA (0.58) CTSAMMECYP3A4
SCHEMBL15637423 0.90 CTSA (0.61) CTSAMMECYP3A4
SCHEMBL15637570 0.90 CTSA (0.57) CTSAMMECYP3A4
SCHEMBL15636178 0.88 CTSA (0.59) CTSA
SCHEMBL15636616 0.86 CTSA (0.54) CTSAMMECYP3A4
SCHEMBL15636782 0.85 CTSA (0.59) CTSA
SCHEMBL15636556 0.85 CTSA (0.59) CTSAMMECYP3A4
SCHEMBL15637571 0.85 CTSA (0.51) CTSAMMECYP3A4
SCHEMBL15635784 0.84 CTSA (0.56) CTSAMMECYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2826772-A1 Intermediates for the synthesis of oxygen-substituted 3-heteroaroylamino-propionic acid derivatives SANOFI (FR) 2015-01-21 — — EP disclosed
EP-2528902-B1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-11-12 — — EP disclosed
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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