SCHEMBL25760733

SCHEMBL25760733

C=CC(=O)CCC(NC(=O)C(N)CC(C)C)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
NOD1 Q9Y239 3/20 0.38
PPID Q08752 1/20 0.36
METAP2 P50579 5/20 0.33
METAP1 P53582 3/20 0.33
CAD P27708 1/20 0.33
ERAP2 Q6P179 1/20 0.33
SCN9A Q15858 3/20 0.33
CAPN9 O14815 1/20 0.33

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
SCHEMBL18478760 0.96 L3MBTL1 (0.39) L3MBTL1KMT2APOLBNOD1PPID
SCHEMBL18478758 0.88 ERAP2 (0.33) ERAP2SCN9A
SCHEMBL25760765 0.88 L3MBTL1 (0.42) L3MBTL1KMT2APOLBNOD1PPID
SCHEMBL18478761 0.87 L3MBTL1 (0.46) L3MBTL1KMT2APOLBNOD1METAP2
SCHEMBL29465612 0.84 L3MBTL1 (0.39) L3MBTL1KMT2APOLBNOD1PPID
SCHEMBL21473367 0.84 L3MBTL1 (0.39) L3MBTL1KMT2APOLBNOD1PPID
SCHEMBL18452348 0.84 L3MBTL1 (0.39) L3MBTL1KMT2APOLBNOD1PPID
SCHEMBL20468520 0.84 L3MBTL1 (0.39) L3MBTL1KMT2APOLBNOD1PPID
SCHEMBL20465429 0.84 L3MBTL1 (0.39) L3MBTL1KMT2APOLBNOD1PPID
SCHEMBL25760735 0.84 FOLH1 (0.46) KMT2ANOD1ERAP2

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-3328827-B1 PRODRUGS OF GLUTAMINE ANALOGS UNIV JOHNS HOPKINS (US) 2023-07-05 EP disclosed