SCHEMBL8552801

SCHEMBL8552801

CC(C)(C)OC(=O)COc1cnc(C(=O)CBr)cc1OCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
LMNA P02545 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MTNR1A P48039 2/20 0.33

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 SCHEMBL8553588 0.85 HPGD (0.40) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL8558830 0.85 ALDH1A1 (0.40) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL8555283 0.78 PTPN1 (0.41) HPGDKDM4EALDH1A1POLBMEN1
SCHEMBL8556784 0.76 HPGD (0.38) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL8555443 0.75 ALDH1A1 (0.37) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL8555263 0.74 HPGD (0.39) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL8555264 0.74 HPGD (0.37) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL22823053 0.73 HPGD (0.39) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL22535966 0.70 HPGD (0.47) HPGDKDM4EALDH1A1HSD17B10POLB
SCHEMBL7332590 0.69 GSK3B (0.54) KDM4EMEN1KMT2AMAPTLMNA

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