SCHEMBL7289605

SCHEMBL7289605

CC(C)(C)OC(=O)COc1ccc(C(=O)NNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1OCC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.48
▸ NAMPT P43490 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NR1H4 Q96RI1 3/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ EPHX2 P34913 2/20 0.41
▸ UBE2N P61088 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 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
SCHEMBL7289755 0.91 ROCK2 (0.45) HDAC1NAMPTL3MBTL1NR1H4UBE2N
SCHEMBL7282483 0.86 NAMPT (0.43) HDAC1NAMPTL3MBTL1TDP1MAPT
SCHEMBL7282966 0.86 NAMPT (0.41) HDAC1NAMPTL3MBTL1TDP1MAPT
SCHEMBL8663875 0.81 HDAC1 (0.46) HDAC1NAMPTL3MBTL1TDP1MAPT
SCHEMBL8925502 0.80 ROCK2 (0.44) HDAC1L3MBTL1MAPTUBE2NMEN1
SCHEMBL7292267 0.80 SMPD1 (0.47) HDAC1MAPTHDAC6UBE2NMEN1
SCHEMBL7289312 0.79 PTPRC (0.41) HDAC1MAPTMEN1KMT2A
SCHEMBL9221746 0.79 NAMPT (0.57) HDAC1NAMPTL3MBTL1NR1H4HDAC6
SCHEMBL20328570 0.77 SMPD1 (0.48) HDAC1MAPTHDAC6HDAC10MEN1
SCHEMBL7549497 0.76 HDAC1 (0.44) HDAC1NAMPTL3MBTL1TDP1MAPT

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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