SCHEMBL6865108

SCHEMBL6865108

CCOC(=O)c1ccc(C(=O)N(OOC(C)(C)C)OC(C)(C)C)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ERN1 O75460 2/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
ATM Q13315 3/20 0.35
TSHR P16473 3/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
MAPT P10636 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL7018973 0.75 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL6733518 0.69 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL3253491 0.69 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL5068414 0.69 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC6L3MBTL1
SCHEMBL12514085 0.68 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL7421051 0.68 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL2659566 0.67 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC6L3MBTL1
SCHEMBL3333355 0.67 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC6ERN1
SCHEMBL2296183 0.67 HDAC6 (1.00) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL24035294 0.67 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC6ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409464-A1 OXAZOLIDINONE DERIVATIVES AS POTENTIAL ANTIMICROBIALS RANBAXY LABORATORIES, LTD. (IN) 2004-04-21 EP disclosed
WO-2003008389-A1 OXAZOLIDINONE DERIVATIVES AS POTENTIAL ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2003-01-30 WO disclosed