SCHEMBL28017223

SCHEMBL28017223

O=C(CI)c1cccc(-c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 2/20 0.64
FEN1 P39748 2/20 0.64
KMO O15229 1/20 0.60
HDAC8 Q9BY41 2/20 0.55
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
NR1H4 Q96RI1 2/20 0.46
GPR52 Q9Y2T5 1/20 0.46
EPHX2 P34913 1/20 0.46
DHODH Q02127 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL2070299 0.82 ERCC5 (0.66) ERCC5FEN1KMOHDAC8PRSS1
SCHEMBL11775145 0.82 SMN1; SMN2 (0.64) ERCC5FEN1HDAC8HDAC1PTPN1
SCHEMBL171752 0.81 TDP1 (0.64) ERCC5FEN1HDAC8HDAC3HDAC4
SCHEMBL22570708 0.81 ERCC5 (0.64) ERCC5FEN1KMOHDAC8PRSS1
SCHEMBL16581135 0.81 ERCC5 (0.64) ERCC5FEN1KMOHDAC8PRSS1
SCHEMBL1419650 0.81 PTPN1 (0.69) ERCC5FEN1KMOHDAC8PRSS1
SCHEMBL6005391 0.81 L3MBTL1 (0.69) ERCC5FEN1KMOHDAC8PRSS1
Hydrochloric Acid SCHEMBL29391029 0.79 ERCC5 (0.62) ERCC5FEN1KMOHDAC8PRSS1
Hydrochloric Acid SCHEMBL22556742 0.79 ERCC5 (0.62) ERCC5FEN1KMOHDAC8PRSS1
Hydrochloric Acid SCHEMBL29512255 0.79 ERCC5 (0.62) ERCC5FEN1KMOHDAC8PRSS1

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
CN-104557474-B A kind of preparation method of alpha-Naphthol compounds 大连理工大学 2016-06-29 CN disclosed
CN-104557474-A Preparation method of alpha-naphthol compound UNIV DALIAN TECH 2015-04-29 CN disclosed