SCHEMBL7796545

SCHEMBL7796545

COc1ccc(OC(=O)C2c3ccccc3N(C)c3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
BCHE P06276 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
HSP90AA1 P07900 1/20 0.42
EDNRA P25101 2/20 0.42
EDNRB P24530 1/20 0.42
GAA P10253 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
TTR P02766 1/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 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
SCHEMBL13005780 0.94 HDAC4 (0.57) HDAC4HDAC7HDAC5CYP1A2CYP2C9
SCHEMBL7031997 0.90 HDAC4 (0.45) HDAC4HDAC7HDAC5CYP1A2CYP2C9
SCHEMBL2218308 0.89 HDAC4 (0.55) HDAC4HDAC7HDAC5CYP1A2CYP2C9
SCHEMBL30132855 0.89 HDAC4 (0.55) HDAC4HDAC7HDAC5CYP1A2CYP2C9
SCHEMBL2985418 0.88 HDAC4 (0.51) HDAC4HDAC7HDAC5CYP1A2CYP2C9
SCHEMBL14561695 0.88 HDAC4 (0.51) HDAC4HDAC7HDAC5CYP1A2CYP2C9
SCHEMBL7793810 0.87 HDAC4 (0.50) HDAC4HDAC7HDAC5CYP1A2CYP2C9
SCHEMBL7793760 0.87 HDAC4 (0.50) HDAC4HDAC7HDAC5CYP1A2CYP2C9
SCHEMBL7795361 0.87 HDAC4 (0.50) HDAC4HDAC7HDAC5CYP1A2CYP2C9
SCHEMBL8331335 0.85 MAPT (0.41) HDAC4HDAC7HDAC5CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0750748-B1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 2001-12-05 EP disclosed
US-5750698-A USEFUL IN DETECTING BOTH PEROXIDASE AND PEROXIDE LUMIGEN, INC. (US) 1998-05-12 US disclosed
US-5593845-A BY REACTION WITH PEROXIDES AND PEROXIDASE; DETECTION OF HAPTENS, PROTEINS, ANTIBODIES IN ENZYME IMMUNOASSAY LUMIGEN, INC. (US) 1997-01-14 US disclosed
WO-1995023971-A1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1995-09-08 WO disclosed