SCHEMBL7764003

SCHEMBL7764003

CC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@@H]2COc2ccc(I)cc2)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.37
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7768553 0.88 CA1 (0.37) APPCA1CA2CA9CA12
SCHEMBL7768516 0.84 APP (0.35) APPCA1CA2CA9
SCHEMBL8900061 0.83 ALDH1A1 (0.43) MAPTALDH1A1
SCHEMBL7767015 0.83 ALDH1A1 (0.38) TP53HPGDTSHRMEN1KMT2A
SCHEMBL7767643 0.82 APP (0.37) APPCA1CA2CA9
SCHEMBL7768559 0.82 PTPN1 (0.35) APPCA1CA2CA9CA4
SCHEMBL7771492 0.82 MAPT (0.43) CA1CA2MAPTHPGDMEN1
SCHEMBL7767526 0.81 ENPP3 (0.38) TP53MAPTCYP1A2HIF1A
SCHEMBL7769007 0.80 LTA4H (0.37) TP53MEN1KMT2AALDH1A1
SCHEMBL25159006 0.77 CA2 (0.44) APPCA2TP53MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847146-A N-heteroartyl-n'-(pyrid-2yl-sulfonyl) ureas, processes for their preparation, and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 1998-12-08 US claimed
EP-0741128-B1 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls HOFFMANN LA ROCHE (CH) 2001-06-20 EP disclosed
US-5847146-A N-heteroartyl-n'-(pyrid-2yl-sulfonyl) ureas, processes for their preparation, and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 1998-12-08 US disclosed
US-5830920-A PREVENTION GROWTH OF SMOOTH MUSCLE CELLS HOFFMANN-LA ROCHE INC. (US) 1998-11-03 US disclosed
EP-0741128-A2 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1996-11-06 EP disclosed