SCHEMBL8558830

SCHEMBL8558830

CC(=O)c1cc(OCC(=O)OC(C)(C)C)c(OCC(=O)OC(C)(C)C)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35

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
SCHEMBL8552801 0.85 HPGD (0.41) ALDH1A1HPGDKDM4EHSD17B10POLB
Hydrochloric Acid SCHEMBL8553588 0.83 HPGD (0.40) ALDH1A1HPGDKDM4EHSD17B10POLB
SCHEMBL8556784 0.79 HPGD (0.38) ALDH1A1HPGDKDM4EHSD17B10POLB
SCHEMBL8555443 0.78 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EHSD17B10POLB
SCHEMBL8555263 0.77 HPGD (0.39) ALDH1A1HPGDKDM4EHSD17B10POLB
SCHEMBL8555264 0.77 HPGD (0.37) ALDH1A1HPGDKDM4EHSD17B10POLB
SCHEMBL8593499 0.77 PTPN1 (0.43) ALDH1A1HPGDKDM4EPOLBMEN1
SCHEMBL17987851 0.75 PSEN1 (0.41) ALDH1A1HPGDKDM4EHSD17B10POLB
SCHEMBL22535966 0.73 HPGD (0.47) ALDH1A1HPGDKDM4EHSD17B10POLB
SCHEMBL22656552 0.71 POLB (0.50) ALDH1A1HPGDKDM4EHSD17B10POLB

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
EP-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP 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
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed