SCHEMBL8554090

SCHEMBL8554090

CCOC(=O)COc1ccc(CCN)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
HTT P42858 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
TSHR P16473 1/20 0.47
TBXAS1 P24557 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
Hydrochloric Acid SCHEMBL6981890 0.98 GAA (0.57) GAANPSR1KDM4EHSD17B10PPARG
Hydrochloric Acid SCHEMBL28797126 0.90 GAA (0.55) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL2292200 0.90 PPARA (0.55) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL1668484 0.87 GAA (0.62) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL25943149 0.86 PPARA (0.52) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL6375038 0.86 CYP4F2 (0.66) GAANPSR1KDM4EHSD17B10PPARG
Hydrochloric Acid SCHEMBL11371198 0.86 GAA (0.60) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL7723659 0.84 GAA (0.59) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL11817150 0.84 PPARA (0.63) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL7201519 0.84 TAAR1 (0.55) ALDH1A1MAPTTAAR1

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
CN-1045084-C Novel compound with platelet aggregation inhibitor activity MEJI SEIKA KABUSHIKI KAISHA (JP) 1999-09-15 CN disclosed
EP-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
WO-1998009625-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1998-03-12 WO disclosed
US-5698692-A INHIBIT BINDING BETWEEN PLATELET MEMBRANE GLYCOPROTEIN AND FIBRINOGEN MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-12-16 US disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
CN-1107277-A Novel compound having platelet aggregation inhibiting effect MEIJI SEIKA CO (JP) 1995-08-23 CN disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed
US-4258058-A Phenoxyalkylcarboxylic acid compounds and thrombocyte-aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1981-03-24 US disclosed