SCHEMBL17350413

SCHEMBL17350413

COC(=O)[C@@H]1CC(O)CN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 5/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ FKBP1A P62942 1/20 0.51
▸ CTRB1 P17538 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
SCHEMBL15966570 1.00 PREP (0.63) PREPNPSR1ALDH1A1TSHRCYP3A4
SCHEMBL10476852 0.90 PREP (0.62) PREPNPSR1TSHRL3MBTL1POLB
SCHEMBL19258206 0.88 PREP (0.71) PREPNPSR1ALDH1A1TSHRCYP3A4
SCHEMBL17469366 0.88 PREP (0.71) PREPNPSR1ALDH1A1TSHRCYP3A4
SCHEMBL17469372 0.88 PREP (0.71) PREPNPSR1ALDH1A1TSHRCYP3A4
SCHEMBL17469393 0.88 PREP (0.71) PREPNPSR1ALDH1A1TSHRCYP3A4
SCHEMBL115971 0.87 POLB (0.64) PREPNPSR1ALDH1A1TSHRCYP3A4
SCHEMBL13092036 0.87 POLB (0.64) PREPNPSR1ALDH1A1TSHRCYP3A4
SCHEMBL1448027 0.87 POLB (0.64) PREPNPSR1ALDH1A1TSHRCYP3A4
SCHEMBL636507 0.87 POLB (0.64) PREPNPSR1ALDH1A1TSHRCYP3A4

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
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
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