SCHEMBL4288124

SCHEMBL4288124

NOC(C(O)CO)C(O)C(O)C=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.34
MPI P34949 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31

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
SCHEMBL1764018 1.00 AKR1B1 (0.34) AKR1B1MPILMNAL3MBTL1TDP1
SCHEMBL2635114 1.00 AKR1B1 (0.34) AKR1B1MPILMNAL3MBTL1TDP1
SCHEMBL8836136 0.88 AKR1B1 (0.37) AKR1B1MPILMNAL3MBTL1
Pyrimidine SCHEMBL15016220 0.86
SCHEMBL770242 0.84 LMNA (0.39) AKR1B1MPILMNAL3MBTL1TDP1
SCHEMBL10713437 0.84 LMNA (0.39) AKR1B1MPILMNAL3MBTL1TDP1
SCHEMBL2635169 0.84 LMNA (0.39) AKR1B1MPILMNAL3MBTL1TDP1
SCHEMBL17635816 0.82 MPI (0.32) MPI
SCHEMBL4726972 0.82 AKR1B1 (0.33) AKR1B1LMNAL3MBTL1TDP1USP2
SCHEMBL3408591 0.80 AKR1B1 (0.34) AKR1B1MPILMNAL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186839-A1 Model for studying the role of genes in chemoresistance COLD SPRING HARBOR LABORATORY (US) 2009-07-23 US disclosed
US-20060294604-A1 Model for studying the role of genes in tumor resistance to chemotherapy NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-12-28 US disclosed
EP-1137796-A4 MICROMONOSPORA ECHINOSPORA GENES ENCODING FOR BIOSYNTHESIS OF CALICHEAMICIN AND SELF-RESISTANCE THERETO SLOAN KETTERING INSTITUTEFOR C (US) 2005-05-25 EP disclosed
US-6733998-B1 FOR PROTEINS AND ENZYMES USED IN BIOSYNTHETIC PATHWAY AND CONSTRUCTION OF ARYLTETRASACCHARIDE AND AGLYCONE SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2004-05-11 US disclosed
EP-1356026-A2 MICROMONOSPORA ECHINOSPORA GENES ENCODING FOR BIOSYNTHESIS OF CALICHEAMICIN AND SELF-RESISTANCE THERETO Sloan-Kettering Institute For Cancer Research (US) 2003-10-29 EP disclosed
WO-2002079465-A2 MICROMONOSPORA ECHINOSPORA GENES ENCODING FOR BIOSYNTHESIS OF CALICHEAMICIN AND SELF-RESISTANCE THERETO SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2002-10-10 WO disclosed
EP-1137796-A2 MICROMONOSPORA ECHINOSPORA GENES ENCODING FOR BIOSYNTHESIS OF CALICHEAMICIN AND SELF-RESISTANCE THERETO Sloan-Kettering Institute For Cancer Research (US) 2001-10-04 EP disclosed
WO-2000037608-A2 MICROMONOSPORA ECHINOSPORA GENES ENCODING FOR BIOSYNTHESIS OF CALICHEAMICIN AND SELF-RESISTANCE THERETO SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2000-06-29 WO disclosed