SCHEMBL1130873

SCHEMBL1130873

CC(CC(=O)C(=O)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.44
CYP1A2 P05177 1/20 0.44
TP53 P04637 1/20 0.38
FOLH1 Q04609 2/20 0.38
NAALAD2 Q9Y3Q0 2/20 0.38
ENPEP Q07075 2/20 0.38
GRIK1 P39086 1/20 0.38
BLM P54132 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
SCHEMBL12694135 1.00 GABRR1 (0.44) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL28588639 0.97 GABRR1 (0.42) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL13014514 0.81 GABRR1 (0.42) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL105210 0.77
SCHEMBL2599566 0.77
2-Oxoisohexanoate SCHEMBL43491 0.77
SCHEMBL17164603 0.77 CYP1A2 (0.55) GABRR1CYP1A2TP53FOLH1NAALAD2
SCHEMBL21085104 0.77
SCHEMBL791253 0.77
SCHEMBL16114175 0.77 OR51E2 (0.40) TP53GRIK1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219923-B1 ANTIBIOTIC DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-09-02 EP claimed
US-9023636-B2 Microorganisms and methods for the biosynthesis of propylene GENOMATICA, INC. (US) 2015-05-05 US disclosed
CN-104120112-A Cordyceps sinensis 3-isopropylmalate dehydrogenase B, as well as encoding genes and application thereof UNIV ZHEJIANG TECHNOLOGY 2014-10-29 CN disclosed
EP-2302067-B1 Production of monatin and monatin precursors CARGILL INC (US) 2014-03-05 EP disclosed
US-8617862-B2 Microorganisms for producing propylene and methods related thereto GENOMATICA, INC. (US) 2013-12-31 US disclosed
EP-2563926-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE Genomatica, Inc. (US) 2013-03-06 EP disclosed
US-20120329119-A1 MICROORGANISMS FOR PRODUCING PROPYLENE AND METHODS RELATED THERETO GENOMATICA, INC. 2012-12-27 US disclosed
WO-2011137198-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE GENOMATICA, INC. (US) 2011-11-03 WO disclosed
US-20110269204-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE AGAIN BIO APS (DK) 2011-11-03 US disclosed
EP-2302067-A1 Production of monatin and monatin precursors Cargill, Incorporated (US) 2011-03-30 EP disclosed
WO-2005042756-A2 PRODUCTION OF MONATIN AND MONATIN PRECURSORS CARGILL, INCORPORATED (US) 2005-05-12 WO disclosed
EP-0219923-B1 ANTIBIOTIC DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-09-02 EP disclosed
US-4956358-A ANTIBIOTICS, BACTERICIDES, CEPHALOSPORINS AND ISOCEPHALOSPORINS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 US disclosed
US-4891427-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-01-02 US disclosed
US-4876251-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-10-24 US disclosed
US-4851422-A Antibiotic 2-(3-oxo-2-isoxazolidinyl)-5-oxo-2-tetrahydrofuran-carboxylates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0253337-A2 Tricyclic cepham compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-01-20 EP disclosed
EP-0249909-A1 Tricyclic penam compounds, their production and their use Takeda Chemical Industries, Ltd. (JP) 1987-12-23 EP disclosed
EP-0219923-A1 Antibiotic derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-04-29 EP disclosed
CN-86102923-A The method for preparing antibiotic derivatives 1986-11-12 CN disclosed