SCHEMBL5799042

SCHEMBL5799042

COC(=O)c1ccc(C=C(CNc2cnc3ccccc3c2)CN2CCCC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
ALPL P05186 1/20 0.41
KDM4E B2RXH2 5/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
HDAC6 Q9UBN7 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL5797106 0.91 KDM4E (0.43) FAAHKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL5813566 0.91 KDM4E (0.43) FAAHKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL5796465 0.89 HDAC6 (0.52) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL5797381 0.84 POLB (0.45) FAAHALPLKDM4ERAB9ANPC1
SCHEMBL5797385 0.84 POLB (0.45) FAAHALPLKDM4ERAB9ANPC1
SCHEMBL5822676 0.82 FAAH (0.41) FAAHALPLKDM4ERAB9ANPC1
SCHEMBL5799071 0.80 FAAH (0.42) FAAHALPLKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5795580 0.80 HDAC6 (0.45) FAAHALPLKDM4ERAB9ANPC1
SCHEMBL5799753 0.79 HDAC6 (0.57) FAAHALPLKDM4ERAB9ANPC1
SCHEMBL5813364 0.78 ALPL (0.46) FAAHALPLKDM4ERAB9ANPC1

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-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed