SCHEMBL8663875

SCHEMBL8663875

CC(C)(C)OC(=O)COc1ccccc1OC(C(=O)O)C(=O)NNC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.46
▸ NAMPT P43490 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ CTNNB1 P35222 1/20 0.37
▸ TCF7L2 Q9NQB0 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
SCHEMBL8670633 0.86 HDAC1 (0.43) HDAC1NAMPTMEN1KMT2AHDAC6
SCHEMBL8666826 0.85 HDAC1 (0.40) HDAC1NAMPTMEN1KMT2AHDAC6
SCHEMBL7289605 0.81 HDAC1 (0.48) HDAC1NAMPTMEN1KMT2AHDAC6
SCHEMBL7289755 0.75 ROCK2 (0.45) HDAC1NAMPTMEN1KMT2AL3MBTL1
SCHEMBL28641617 0.75 NAMPT (0.53) HDAC1NAMPTMEN1KMT2AHDAC6
SCHEMBL9221746 0.74 NAMPT (0.57) HDAC1NAMPTMEN1KMT2AHDAC6
SCHEMBL8665767 0.74 HDAC1 (0.45) HDAC1NAMPTMEN1KMT2AHDAC6
SCHEMBL7289218 0.73 HDAC1 (0.56) HDAC1NAMPTMEN1KMT2AHDAC6
SCHEMBL4888860 0.72 NAMPT (0.61) HDAC1NAMPTMEN1KMT2AHDAC6
SCHEMBL7282483 0.71 NAMPT (0.43) HDAC1NAMPTMEN1KMT2AHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760057-A ANTICOAGULANTS ZENECA LIMITED (GB) 1998-06-02 — — US disclosed
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