SCHEMBL7428124

SCHEMBL7428124

COc1ccccc1-c1cccc(C(=O)Cl)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
CLCN2 P51788 1/20 0.43
HTT P42858 3/20 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
SCHEMBL4776927 0.92 CNR2 (0.45) CTSDALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7430967 0.86 CTSD (0.51) CTSDALDH1A1HPGDCLCN2HTT
SCHEMBL4063170 0.85 HTT (0.56) ALDH1A1HPGDTUBB4ATUBBTUBA3C
SCHEMBL31074983 0.84 NPC1 (0.53) CTSDALDH1A1HPGDHTTKDM4E
SCHEMBL341330 0.84 NPC1 (0.53) CTSDALDH1A1HPGDHTTKDM4E
SCHEMBL4062441 0.84 PARP1 (0.54) CTSDALDH1A1HPGDTUBB4ATUBB
SCHEMBL699716 0.80 ALDH1A1 (0.45) CTSDALDH1A1HPGDKDM4EHSD17B10
SCHEMBL16672818 0.79 TSHR (0.56) ALDH1A1HPGDHTTKDM4EHSD17B10
SCHEMBL29392137 0.79 CTSD (0.63) CTSDALDH1A1HPGDHTTHSD17B10
SCHEMBL431 0.79 CTSD (0.63) CTSDALDH1A1HPGDHTTHSD17B10

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