SCHEMBL7904153

SCHEMBL7904153

CCOC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)OCC)C(=O)OCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.67
KMT2A Q03164 2/20 0.63
POLB P06746 1/20 0.63
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NOD1 Q9Y239 3/20 0.44
CYP1A2 P05177 2/20 0.40
CAD P27708 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
NOD2 Q9HC29 2/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38

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
SCHEMBL20738972 0.96 L3MBTL1 (0.61) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL20738966 0.94 KMT2A (0.69) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL16350036 0.94 KMT2A (0.69) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL16350091 0.92 KMT2A (0.66) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL16350094 0.92 KMT2A (0.66) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL411635 0.89 KMT2A (0.58) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL22315399 0.89 KMT2A (0.55) L3MBTL1KMT2APOLBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL31294486 0.87 L3MBTL1 (0.58) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL412199 0.87 L3MBTL1 (0.55) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL7262084 0.85 L3MBTL1 (0.49) L3MBTL1KMT2APOLBNOD1CYP1A2

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
US-6319702-B1 NUCLEOTIDE SEQUENCS CODING AN ENZYMATIC POLYPEPTIDE AND CELL TARGETING COMPOUND; FOR USE IN TREATMENT OF CANCER GLAXO WELLCOME, INC. 2001-11-20 US disclosed
US-6140100-A CONJUGATE POLYPEPTIDE WHICH IS TISSUE PREFERENTIAL; ANTICARCINOGENIC AGENTS GLAXO WELLCOME INC. (US) 2000-10-31 US disclosed
EP-0728018-A1 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013095-A2 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-18 WO disclosed