SCHEMBL18476697

SCHEMBL18476697

CCOC(=O)[C@@H](N)CCC(=O)C=[N+]=N

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NOD1 Q9Y239 3/20 0.35
▸ ALOX15 P16050 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CPB2 Q96IY4 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL18476646 0.84 FAAH (0.38) CYP2D6CYP2C9CYP2C19NOD1ALOX15
SCHEMBL18452613 0.84 FAAH (0.38) CYP2D6CYP2C9CYP2C19NOD1ALOX15
SCHEMBL18477085 0.81 CYP2D6 (0.38) CYP2D6CYP2C9CYP2C19NOD1ALOX15
SCHEMBL20375323 0.81 CYP2D6 (0.38) CYP2D6CYP2C9CYP2C19NOD1ALOX15
SCHEMBL18476661 0.78 TSHR (0.39) CYP2D6CYP2C9CYP2C19NOD1ALOX15
SCHEMBL20468542 0.78 L3MBTL1 (0.43) NOD1L3MBTL1
SCHEMBL20468520 0.77 L3MBTL1 (0.39) NOD1L3MBTL1
SCHEMBL1176235 0.74 ALOX15 (0.48) CYP2D6CYP2C9CYP2C19NOD1ALOX15
SCHEMBL4948196 0.73 GABRP (0.56) CYP2D6CYP2C19NOD1ALOX15CYP1A2
SCHEMBL21182433 0.73 CYP2D6 (0.42) CYP2D6CYP2C9CYP2C19NOD1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328827-B1 PRODRUGS OF GLUTAMINE ANALOGS UNIV JOHNS HOPKINS (US) 2023-07-05 — — EP disclosed
WO-2023081832-A1 METHODS FOR PREVENTING AND TREATING ACUTE KIDNEY INJURY THE JOHNS HOPKINS UNIVERSITY (US) 2023-05-11 — — WO disclosed
WO-2017023774-A9 PRODRUGS OF GLUTAMINE ANALOGS THE JOHNS HOPKINS UNIVERSITY (US) 2017-11-23 — — WO disclosed
WO-2017023774-A1 PRODRUGS OF GLUTAMINE ANALOGS THE JOHNS HOPKINS UNIVERSITY (US) 2017-02-09 — — WO disclosed
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