SCHEMBL4619178

SCHEMBL4619178

CC(OCCN1C(=O)C=CC1=O)OCC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.43
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
BLM P54132 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
WRN Q14191 1/20 0.39
HIF1A Q16665 1/20 0.39
FAAH O00519 3/20 0.36
HSP90AA1 P07900 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TLR9 Q9NR96 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL16426680 0.85 MGLL (0.57) MGLLALDH1A1HPGDBLMCYP1A2
SCHEMBL28344379 0.83 MGLL (0.44) MGLLALDH1A1HPGDBLMCYP1A2
SCHEMBL8391712 0.79 MGLL (0.53) MGLLALDH1A1HPGDBLMCYP1A2
SCHEMBL3790254 0.75 MGLL (0.53) MGLLALDH1A1HPGDBLMCYP1A2
SCHEMBL22002013 0.75 MGLL (0.57) MGLLALDH1A1HPGDBLMCYP1A2
SCHEMBL4619174 0.74 MGLL (0.69) MGLLALDH1A1HPGDBLMCYP1A2
SCHEMBL28335487 0.74 MGLL (0.48) MGLLALDH1A1HPGDBLMCYP1A2
SCHEMBL10067465 0.70 MGLL (0.55) MGLLALDH1A1HPGDBLMCYP1A2
SCHEMBL22708691 0.69 MGLL (0.66) MGLLALDH1A1HPGDBLMCYP1A2
SCHEMBL21780896 0.69 MGLL (0.54) MGLLALDH1A1HPGDBLMCYP1A2

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-1889639-A2 Methods and compositions containing succinimide or maleimide derivatives of antineoplastic agents, for producing long lasting antineoplastic agents ConjuChem Biotechnologies Inc. (CA) 2008-02-20 EP disclosed
EP-1212120-A2 METHODS AND COMPOSITIONS CONTAINING SUCCINIMIDE OR MALEIMIDE DERIVATIVES OF ANTINEOPLASTIC AGENTS, FOR PRODUCING LONG LASTING ANTINEOPLASTIC AGENTS Conjuchem, Inc. (CA) 2002-06-12 EP disclosed
WO-2001017614-A2 METHODS AND COMPOSITIONS CONTAINING SUCCINIMIDE OR MALEIMIDE DERIVATIVES OF ANTINEOPLASTIC AGENTS CONJUCHEM, INC. (CA) 2001-03-15 WO disclosed