SCHEMBL8307066

SCHEMBL8307066

COc1ccc(OC)c(-c2ccc(C(C)=O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
SYK P43405 4/20 0.55
BACE1 P56817 1/20 0.55
AURKB Q96GD4 2/20 0.55
INCENP Q9NQS7 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 3/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HDAC4 P56524 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
ADORA3 P0DMS8 2/20 0.51
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
GAA P10253 2/20 0.49
TP53 P04637 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL6239769 0.87 KMT2A (0.60) KMT2ASYKBACE1AURKBINCENP
SCHEMBL2039734 0.87 ALDH1A1 (0.63) KMT2ABACE1MAPTHTTNPSR1
SCHEMBL29788029 0.87 ALDH1A1 (0.63) KMT2ABACE1MAPTHTTNPSR1
SCHEMBL26628336 0.86 PARP10 (0.61) BACE1MAPTHTTNPSR1HDAC4
SCHEMBL29899709 0.84 CA12 (0.60) KMT2ASYKBACE1MAPTHDAC4
SCHEMBL14003510 0.84 ALDH1A1 (0.53) KMT2ASYKBACE1AURKBINCENP
SCHEMBL8845578 0.83 HDAC4 (0.62) KMT2ASYKAURKBINCENPHDAC4
SCHEMBL6493632 0.83 MAPT (0.49) SYKBACE1AURKBINCENPMAPT
SCHEMBL6493546 0.83 MAPT (0.49) SYKBACE1AURKBINCENPMAPT
SCHEMBL17493532 0.83 FFAR1 (0.53) KMT2ASYKBACE1MAPTHPGD

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
US-5972959-A Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1999-10-26 US disclosed
EP-0708098-B1 Oxime derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1999-03-03 EP disclosed
US-5780490-A A O-(2,4-OXA(OR THIA)ZOLIDINYL)PHENYLOXY(OR THIO OR AMINO) ALKYLOXIME; ALDOSE REDUCTASE INHIBITORS; ANTIDIABETIC AND -HYPOGLYCEMIC AGENTS; LIVER, SKIN AND UROGENITAL DISORDERS SANKYO COMPANY, LIMITED (JP) 1998-07-14 US disclosed
EP-0708098-A1 Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-04-24 EP disclosed