SCHEMBL9319281

SCHEMBL9319281

COc1ccc(C(C)(Cl)Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA14 Q9ULX7 1/20 0.55
TDP1 Q9NUW8 5/20 0.50
MAPK1 P28482 5/20 0.50
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TSHR P16473 2/20 0.50
ACHE P22303 1/20 0.46
MAPT P10636 3/20 0.46
RECQL P46063 2/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
AOC3 Q16853 1/20 0.44
KDM4E B2RXH2 2/20 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
SCHEMBL677932 0.85 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL10642557 0.82 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL1975657 0.82 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL14473616 0.82 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL11749098 0.81 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL3799108 0.80 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL3098811 0.79 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL78643 0.79 MAPT (0.64) CA1CA2CA7CA9CA12
SCHEMBL1538395 0.79 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL10112753 0.79 CA1 (0.61) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420941-B1 PROCESS FOR PRODUCTION OF AROMATIC ALDOXIMES ALLIED SIGNAL INC (US) 1994-01-12 EP disclosed
EP-0420941-A1 PROCESS FOR PRODUCTION OF AROMATIC ALDOXIMES. ALLIED SIGNAL INC (US) 1991-04-10 EP disclosed
WO-1989012623-A1 PROCESS FOR PRODUCTION OF AROMATIC ALDOXIMES ALLIED-SIGNAL INC. (US) 1989-12-28 WO disclosed