SCHEMBL7290311

SCHEMBL7290311

CC(C)(C)OC(=O)COc1ccc(C(=O)NNC(=O)COC2CCN(C(=O)OC(C)(C)C)CC2)cc1OCC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.48
▸ PDE4D Q08499 3/20 0.47
▸ PDE4A P27815 2/20 0.47
▸ PDE4B Q07343 2/20 0.47
▸ PDE4C Q08493 2/20 0.47
▸ GPR119 Q8TDV5 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CETP P11597 2/20 0.41
▸ TOP2A P11388 1/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ RIN1 Q13671 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 0.89 KMT2A (0.48) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL7280685 0.88 KMT2A (0.48) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL8355692 0.88 KMT2A (0.64) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL7283847 0.84 KMT2A (0.46) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL10102249 0.81 KDM4E (0.62) KMT2AGPR119KDM4EPKMCETP
SCHEMBL4522107 0.79 GPR119 (0.58) KMT2AGPR119KDM4EPKMCETP
SCHEMBL7290315 0.79 ITGB3 (0.35) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL3658834 0.75 HPGD (0.50) GPR119KDM4E
SCHEMBL1725187 0.73 PDE4D (0.45) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL5438080 0.73 PDE4D (0.45) KMT2APDE4DPDE4APDE4BPDE4C

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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