SCHEMBL7280685

SCHEMBL7280685

CC(C)(C)OC(=O)COc1ccc(C(=O)NNC(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)cc1OCC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ PDE4D Q08499 3/20 0.44
▸ PDE4A P27815 2/20 0.44
▸ PDE4B Q07343 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ GPR119 Q8TDV5 5/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ FAAH O00519 1/20 0.40
▸ YAP1 P46937 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
SCHEMBL8357832 0.92 KMT2A (0.48) KMT2AKDM4EPKMPDE4DPDE4A
SCHEMBL7290311 0.88 KMT2A (0.48) KMT2AKDM4EPKMPDE4DPDE4A
SCHEMBL8355692 0.87 KMT2A (0.64) KMT2AKDM4EPKMPDE4DPDE4A
SCHEMBL7283847 0.84 KMT2A (0.46) KMT2AKDM4EPKMPDE4DPDE4A
SCHEMBL8834001 0.80 ITGB3 (0.67) KDM4EPKMPDE4DPDE4APDE4B
SCHEMBL8357838 0.76 KMT2A (0.33) KMT2AKDM4EPKMPDE4DPDE4A
SCHEMBL8832736 0.75 ITGB3 (0.60) KDM4EPKMPDE4DPDE4APDE4B
SCHEMBL8832973 0.74 ITGB3 (0.47) KDM4EPKMGPR119ITGB3ITGA2B
SCHEMBL8833238 0.74 ITGB3 (0.58) KDM4EPKMPDE4DPDE4APDE4B
SCHEMBL1725187 0.73 PDE4D (0.45) KMT2AKDM4EPKMPDE4DPDE4A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981531-A FOR INHIBITING PLATELET AGGREGATION ZENECA LIMITED (GB) 1999-11-09 — — US disclosed
EP-0632016-B1 1,2-Diacylated hydrazine derivatives and their use as cell adhesion inhibitors ZENECA LTD (GB) 1997-04-09 — — EP disclosed
US-5612373-A ANTICOAGULANTS ZENECA LIMITED (GB) 1997-03-18 — — US disclosed
WO-1995000472-A1 1,2 DIACYLATED HYDRAZINE DERIVATIVES AND THEIR USE AS ALL ADHESION INHIBITORS ZENECA LIMITED (GB) 1995-01-05 — — WO disclosed
EP-0632016-A1 1,2-Diacylated hydrazine derivatives and their use as cell adhesion inhibitors ZENECA LIMITED (GB) 1995-01-04 — — EP disclosed
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