SCHEMBL4288128

SCHEMBL4288128

NC(O)(C(O)CO)C(O)C(O)C=O

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.36

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
SCHEMBL1764021 1.00 AKR1B1 (0.36) AKR1B1
SCHEMBL2635116 1.00 AKR1B1 (0.36) AKR1B1
SCHEMBL27671167 1.00 AKR1B1 (0.36) AKR1B1
SCHEMBL31678577 1.00 AKR1B1 (0.36) AKR1B1
Gallic Acid SCHEMBL27751464 0.78 ALDH1A1 (0.44)
SCHEMBL28658954 0.78 AKR1B1 (0.39) AKR1B1
SCHEMBL27577900 0.78 AKR1B1 (0.39) AKR1B1
SCHEMBL5576855 0.78 AKR1B1 (0.39) AKR1B1
SCHEMBL28317227 0.78 AKR1B1 (0.39) AKR1B1
SCHEMBL27751633 0.78 AKR1B1 (0.39) AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4011352-A1 NEW COSMETICS SOLVENTS BASED ON THREE DIFFERENT COMPONENTS Beiersdorf AG (DE) 2022-06-15 EP disclosed
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