SCHEMBL2926538

SCHEMBL2926538

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
KDM4E B2RXH2 2/20 0.60
EGLN1 Q9GZT9 1/20 0.40
TGFBR1 P36897 1/20 0.35
LDHA P00338 1/20 0.35
SRR Q9GZT4 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
RECQL P46063 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPT P10636 1/20 0.32
TET2 Q6N021 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL15741484 1.00 TSHR (0.60) TSHRKDM4EEGLN1TGFBR1LDHA
SCHEMBL2926536 1.00 TSHR (0.60) TSHRKDM4EEGLN1TGFBR1LDHA
SCHEMBL19087933 0.84 TSHR (0.41) TSHRKDM4EEGLN1TGFBR1HCAR2
SCHEMBL31563652 0.84 TSHR (0.41) TSHRKDM4EEGLN1TGFBR1HCAR2
SCHEMBL8163414 0.82 KDM4E (0.43) TSHRKDM4EEGLN1TGFBR1HCAR2
SCHEMBL21669709 0.82 KDM4E (0.43) TSHRKDM4EEGLN1TGFBR1HCAR2
SCHEMBL555080 0.82 KDM4E (0.43) TSHRKDM4EEGLN1TGFBR1HCAR2
SCHEMBL7771247 0.82 KDM4E (0.43) TSHRKDM4EEGLN1TGFBR1HCAR2
SCHEMBL7767062 0.82 KDM4E (0.43) TSHRKDM4EEGLN1TGFBR1HCAR2
SCHEMBL12373465 0.81 EGLN1 (0.43) TSHRKDM4EEGLN1TGFBR1LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180245106-A1 PROCESS FOR PRODUCING ITACONIC ACID AND ITACONIC ACID ESTERS UNDER ANAEROBIC CONDITIONS DSM IP ASSETS B.V. (NL) 2018-08-30 US claimed
US-20170191091-A1 RECOMBINANT CELLS PRODUCING ITACONIC ACID AND METHYL ESTERS THEREOF DSM IP ASSETS B.V. (NL) 2017-07-06 US claimed
US-20170191089-A1 ITACONIC ACID AND ITACONATE METHYLESTER AND DIMETHYLESTER PRODUCTION DSM IP ASSETS B.V. (NL) 2017-07-06 US claimed
WO-2015181310-A2 ITACONIC ACID AND ITACONATE METHYLESTER AND DIMETHYLESTER PRODUCTION DSM IP ASSETS B.V. (NL) 2015-12-03 WO claimed
WO-2015181311-A1 PROCESS FOR PRODUCING ITACONIC ACID AND ITACONIC ACID ESTERS UNDER ANAEROBIC CONDITIONS DSM IP ASSETS B.V. (NL) 2015-12-03 WO claimed
WO-2015181312-A2 CELLS FOR ITACONIC ACID PRODUCTION DSM IP ASSETS B.V. (NL) 2015-12-03 WO claimed
US-20150291986-A1 ITACONIC ACID AND ITACONATE METHYLESTER PRODUCTION DSM IP ASSETS B.V. (NL) 2015-10-15 US claimed
EP-2922952-A2 ITACONIC ACID AND ITACONATE METHYLESTER PRODUCTION DSM IP Assets B.V. (NL) 2015-09-30 EP claimed
WO-2014080024-A2 ITACONIC ACID AND ITACONATE METHYLESTER PRODUCTION DSM IP ASSETS B.V. (NL) 2014-05-30 WO claimed
US-20180245106-A1 PROCESS FOR PRODUCING ITACONIC ACID AND ITACONIC ACID ESTERS UNDER ANAEROBIC CONDITIONS DSM IP ASSETS B.V. (NL) 2018-08-30 US disclosed
US-20170191091-A1 RECOMBINANT CELLS PRODUCING ITACONIC ACID AND METHYL ESTERS THEREOF DSM IP ASSETS B.V. (NL) 2017-07-06 US disclosed
US-20170191089-A1 ITACONIC ACID AND ITACONATE METHYLESTER AND DIMETHYLESTER PRODUCTION DSM IP ASSETS B.V. (NL) 2017-07-06 US disclosed
WO-2015181310-A2 ITACONIC ACID AND ITACONATE METHYLESTER AND DIMETHYLESTER PRODUCTION DSM IP ASSETS B.V. (NL) 2015-12-03 WO disclosed
WO-2015181312-A2 CELLS FOR ITACONIC ACID PRODUCTION DSM IP ASSETS B.V. (NL) 2015-12-03 WO disclosed
WO-2015181311-A1 PROCESS FOR PRODUCING ITACONIC ACID AND ITACONIC ACID ESTERS UNDER ANAEROBIC CONDITIONS DSM IP ASSETS B.V. (NL) 2015-12-03 WO disclosed
US-20150291986-A1 ITACONIC ACID AND ITACONATE METHYLESTER PRODUCTION DSM IP ASSETS B.V. (NL) 2015-10-15 US disclosed
EP-2922952-A2 ITACONIC ACID AND ITACONATE METHYLESTER PRODUCTION DSM IP Assets B.V. (NL) 2015-09-30 EP disclosed
WO-2014080024-A2 ITACONIC ACID AND ITACONATE METHYLESTER PRODUCTION DSM IP ASSETS B.V. (NL) 2014-05-30 WO disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed