SCHEMBL5795580

SCHEMBL5795580

COC(=O)c1ccc(C=C(CNc2cnc3ccccc3c2)COc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.45
ALPL P05186 1/20 0.45
RAB9A P51151 7/20 0.42
NPC1 O15118 5/20 0.42
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GLO1 Q04760 1/20 0.42
KMT2A Q03164 2/20 0.42
FAAH O00519 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 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
SCHEMBL5807482 0.95 HDAC6 (0.43) HDAC6ALPLRAB9ANPC1KDM4E
SCHEMBL5799615 0.94 HDAC6 (0.43) HDAC6ALPLRAB9ANPC1KDM4E
SCHEMBL5797910 0.93 TDP1 (0.44) HDAC6ALPLRAB9ANPC1KDM4E
SCHEMBL5813364 0.93 ALPL (0.46) HDAC6ALPLRAB9ANPC1KDM4E
SCHEMBL5796656 0.91 HDAC6 (0.47) HDAC6RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL5796186 0.91 HDAC6 (0.41) HDAC6ALPLRAB9ANPC1KDM4E
SCHEMBL5796821 0.91 FAAH (0.44) HDAC6ALPLRAB9ANPC1KDM4E
SCHEMBL5799746 0.91 HDAC6 (0.41) HDAC6ALPLRAB9ANPC1KDM4E
SCHEMBL5799738 0.89 HDAC6 (0.60) HDAC6RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL5798752 0.89 HDAC6 (0.60) HDAC6RAB9ANPC1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060181867-A1 Light-diffusing member, backlight assembly having the light-diffusing member and display apparatus having the backlight assembly SAMSUNG ELECTRONICS CO., LTD. 2006-08-17 US disclosed
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