SCHEMBL18478761

SCHEMBL18478761

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
NOD1 Q9Y239 4/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CAD P27708 1/20 0.36
METAP2 P50579 6/20 0.36
METAP1 P53582 4/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL25760733 0.87 L3MBTL1 (0.42) L3MBTL1KMT2APOLBNOD1CAD
SCHEMBL20468545 0.86 L3MBTL1 (0.46) L3MBTL1KMT2APOLBNOD1DPP8
SCHEMBL18478760 0.84 L3MBTL1 (0.39) L3MBTL1KMT2APOLBNOD1SMN1; SMN2
SCHEMBL20465422 0.83 L3MBTL1 (0.43) L3MBTL1KMT2APOLBNOD1DPP8
SCHEMBL20468542 0.83 L3MBTL1 (0.43) L3MBTL1KMT2APOLBNOD1DPP8
SCHEMBL18451341 0.83 L3MBTL1 (0.43) L3MBTL1KMT2APOLBNOD1DPP8
SCHEMBL18478762 0.82 NOD1 (0.51) NOD1DPP8DPP7
SCHEMBL19114277 0.77 SMN1; SMN2 (0.57) L3MBTL1KMT2APOLBSMN1; SMN2KDM4E
SCHEMBL18476661 0.76 TSHR (0.39) L3MBTL1KMT2APOLBNOD1ALDH1A1
SCHEMBL4560808 0.76 CAD (0.44) L3MBTL1KMT2APOLBDPP8DPP7

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