SCHEMBL7603908

SCHEMBL7603908

CCOC(=O)Oc1cccnc1OC(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CASP1 P29466 1/20 0.43
ALOX5 P09917 1/20 0.42
BRD4 O60885 1/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 2/20 0.40
HPGD P15428 2/20 0.40
TYMS P04818 1/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6186021 0.83 ALDH1A1 (0.50) L3MBTL1KDM4EHSD17B10CASP1ALOX5
SCHEMBL4687124 0.83 BRD4 (0.40) KDM4EHSD17B10CASP1BRD4LMNA
SCHEMBL6639870 0.81 KDM4E (0.50) L3MBTL1KDM4EHSD17B10LMNANPC1
SCHEMBL9390418 0.79 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19
SCHEMBL10754548 0.79 ALOX5 (0.39) L3MBTL1KDM4EHSD17B10CASP1ALOX5
SCHEMBL8516383 0.79 TSHR (0.52) L3MBTL1KDM4EHSD17B10ALOX5LMNA
SCHEMBL7307854 0.77 ALDH1A1 (0.53) L3MBTL1KDM4EHSD17B10BRD4LMNA
SCHEMBL10587030 0.77 KDM4E (0.48) L3MBTL1KDM4EHSD17B10CASP1ALOX5
SCHEMBL10511469 0.75 ALDH1A1 (0.46) KDM4EHSD17B10CASP1ALOX5BRD4
SCHEMBL6641775 0.75 USP2 (0.45) KDM4EHSD17B10LMNANPC1POLB

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
WO-1999020606-A2 PIPERIDINES AND PIPERAZINES AS PLATELET AGGREGATION INHIBITORS J. URIACH & CIA. S.A. (ES) 1999-04-29 WO disclosed
WO-1998046599-A1 NOVEL CARBOXAMIDES AS PLATELET AGGREGATION INHIBITORS J. URIACH & CIA. S.A. (ES) 1998-10-22 WO disclosed
EP-0371499-A2 Process for the preparation of pyridine-2,3-dicarboxylic-acid esters WACKER-CHEMIE GMBH (DE) 1990-06-06 EP disclosed
EP-0298029-A1 Substituted imidazolones with a herbicidal activity CIBA-GEIGY AG (CH) 1989-01-04 EP disclosed