SCHEMBL7429983

SCHEMBL7429983

O=C(Cl)c1occc1-c1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.39
KEAP1 Q14145 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN6 P29350 1/20 0.37
POLB P06746 5/20 0.36
KMT2A Q03164 5/20 0.36
HSD17B10 Q99714 4/20 0.36
MEN1 O00255 4/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
RECQL P46063 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX15 P16050 2/20 0.36
BLM P54132 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL3982938 0.83 PTPN1 (0.46) PTPN1KEAP1PTPN2PTPN6POLB
SCHEMBL1053659 0.81 IKBKB (0.41) PTPN1KEAP1PTPN2PTPN6POLB
SCHEMBL28761620 0.74 ALDH1A1 (0.42) PTPN1KEAP1PTPN2PTPN6POLB
SCHEMBL3981479 0.74 ALDH1A1 (0.56) POLBKMT2AHSD17B10MEN1ALDH1A1
SCHEMBL16147858 0.68 TAAR1 (0.52) KEAP1POLBKMT2AMEN1ALDH1A1
SCHEMBL3060862 0.67
SCHEMBL29695129 0.67 ALDH1A1 (0.44) POLBKMT2AHSD17B10MEN1ALDH1A1
SCHEMBL4441896 0.67 ALDH1A1 (0.37) POLBKMT2AMEN1ALDH1A1TDP1
SCHEMBL6670434 0.67 ALDH1A1 (0.45) PTPN1POLBKMT2AMEN1ALDH1A1
SCHEMBL3325853 0.66

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
EP-1183239-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2002-03-06 EP disclosed
WO-2000069821-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-11-23 WO disclosed