SCHEMBL15966524

SCHEMBL15966524

COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.42
▸ PIN1 Q13526 1/20 0.41
▸ MDM4 O15151 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MDM2 Q00987 2/20 0.41
▸ CTSK P43235 1/20 0.40

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
SCHEMBL15966523 0.91 PTPN1 (0.42) PTPN1PIN1CTSK
SCHEMBL4249277 0.84 KMT2A (0.43) —
SCHEMBL3793423 0.84 KMT2A (0.43) —
SCHEMBL3789335 0.84 KMT2A (0.43) —
SCHEMBL3783542 0.84 KMT2A (0.43) —
SCHEMBL3788777 0.84 KMT2A (0.43) —
SCHEMBL17350671 0.81 CTSK (0.40) CTSK
SCHEMBL4055863 0.79 PTPN1 (0.43) PTPN1PIN1MDM4TP53MDM2
SCHEMBL29402078 0.79 MDM4 (0.44) PIN1MDM4TP53MDM2
SCHEMBL25817017 0.79 MDM4 (0.44) PIN1MDM4TP53MDM2

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-2957555-A1 METHOD FOR MODIFYING DERIVATIVES OF AMINO ACIDS AND PEPTIDES, COMPOUNDS PRODUCED, AND USE Consejo Superior De Investigaciones Científicas (CSIC) (ES) 2015-12-23 — — EP disclosed
EP-2957555-A1 METHOD FOR MODIFYING DERIVATIVES OF AMINO ACIDS AND PEPTIDES, COMPOUNDS PRODUCED, AND USE Consejo Superior De Investigaciones Científicas (CSIC) (ES) 2015-12-23 — — EP disclosed
WO-2014125145-A1 METHOD FOR MODIFYING DERIVATIVES OF AMINO ACIDS AND PEPTIDES, COMPOUNDS PRODUCED, AND USE CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2014-08-21 — — WO disclosed
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