SCHEMBL8323577

SCHEMBL8323577

COC(=O)/C=C/c1ccc(OCc2nc3ccccc3[nH]2)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.68
HPGD P15428 4/20 0.62
POLB P06746 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
FDPS P14324 1/20 0.58
ALDH1A1 P00352 4/20 0.57
TSHR P16473 1/20 0.52
MAPK10 P53779 1/20 0.52
HDAC1 Q13547 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
APP P05067 2/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL8324498 0.91 KDM4E (0.66) KDM4EHPGDPOLBL3MBTL1SMN1; SMN2
SCHEMBL8326764 0.90 KDM4E (0.71) KDM4EHPGDPOLBL3MBTL1SMN1; SMN2
SCHEMBL8324556 0.86 KDM4E (0.71) KDM4EHPGDPOLBL3MBTL1SMN1; SMN2
SCHEMBL13320709 0.85 HPGD (0.67) KDM4EHPGDPOLBL3MBTL1SMN1; SMN2
SCHEMBL8325202 0.84 NPC1 (0.62) KDM4EPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL856385 0.84 NPC1 (0.69) KDM4EHPGDPOLBL3MBTL1SMN1; SMN2
SCHEMBL13352270 0.84 KDM4E (0.63) KDM4EHPGDPOLBL3MBTL1SMN1; SMN2
SCHEMBL16215216 0.83 KDM4E (0.61) KDM4EHPGDPOLBL3MBTL1SMN1; SMN2
SCHEMBL7126134 0.78 APP (0.74) KDM4EHPGDSMN1; SMN2FDPSALDH1A1
SCHEMBL30997257 0.78 APP (0.74) KDM4EHPGDSMN1; SMN2FDPSALDH1A1

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
WO-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 WO disclosed