SCHEMBL8554570

SCHEMBL8554570

CC(C)(C)OC(=O)COc1cc(CO)ncc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
CYP2C9 P11712 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ELANE P08246 4/20 0.39
F2 P00734 1/20 0.39
BRD4 O60885 1/20 0.39
CTSG P08311 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMPD1 P17405 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PTGER1 P34995 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37

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
SCHEMBL8556784 0.88 HPGD (0.38) MAPTCYP2C9HPGDPOLBCYP2C19
SCHEMBL10676592 0.83 STAT3 (0.45) MAPTBRD4LMNAMAPK1SMN1; SMN2
SCHEMBL8555196 0.78 HPGD (0.37) MAPTCYP2C9HPGDPOLBCYP2C19
SCHEMBL8555264 0.78 HPGD (0.37) MAPTCYP2C9HPGDPOLBCYP2C19
SCHEMBL10369595 0.78 PDGFRB (0.50) HPGDPOLBLMNASMPD1HDAC1
SCHEMBL2549901 0.74 HTT (0.42) MAPTHPGDBRD4LMNAALDH1A1
SCHEMBL18686908 0.73 MAPT (0.47) MAPTBRD4RXRARXRBRXRG
SCHEMBL10515590 0.73 PTGER1 (0.54) CYP2C9BRD4SMPD1HDAC1HDAC8
SCHEMBL7283134 0.72 KMT2A (0.48) MAPTHPGDLMNASMPD1HDAC1
SCHEMBL8555177 0.72 CDK1 (0.43) MAPTCYP2C19NPSR1LMNAKDM4E

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