SCHEMBL8317737

SCHEMBL8317737

CCOC(=O)/C=C/c1cccc(C(NC(C)=O)c2ccc(OCC)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
MDM4 O15151 1/20 0.47
MAPT P10636 1/20 0.47
MDM2 Q00987 1/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
TTR P02766 1/20 0.44
DPP4 P27487 1/20 0.44
ACACB O00763 4/20 0.43
ACACA Q13085 2/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
EGFR P00533 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42

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
SCHEMBL8317750 0.89 ALDH1A1 (0.59) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL8321251 0.88 LMNA (0.55) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL8314172 0.87 LMNA (0.47) LMNAMDM4MAPTMDM2ALDH1A1
SCHEMBL8324894 0.81 KMT2A (0.50) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL9599969 0.77 KDM4E (0.74) ALDH1A1SMN1; SMN2KDM4ETTRDPP4
SCHEMBL9599975 0.77 KDM4E (0.74) ALDH1A1SMN1; SMN2KDM4ETTRDPP4
SCHEMBL8320461 0.76 EGFR (0.52) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL28161744 0.76 TTR (0.57) MAPTALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL13120952 0.75 TTR (0.56) MAPTALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL1959915 0.74 CA12 (0.71) MAPTALDH1A1SMN1; SMN2HTTKDM4E

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-2004071401-A2 HYDROXAMIC ACID DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS (HDCA) FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-26 WO disclosed