SCHEMBL6681062

SCHEMBL6681062

CC(C)CC(C(=O)N(CC(=O)CNS(=O)(=O)c1ccc2oc3ccccc3c2c1)Cc1ccncc1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 9/20 0.43
▸ MMP13 P45452 8/20 0.43
▸ KEAP1 Q14145 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ HTT P42858 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ PDK1 Q15118 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PDK4 Q16654 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
SCHEMBL7374325 0.95 MMP12 (0.47) MMP12MMP13KEAP1GAAHTT
SCHEMBL5934949 0.87 MMP12 (0.44) MMP12MMP13KEAP1GAAHTT
SCHEMBL6687739 0.85 MMP12 (0.42) MMP12MMP13KEAP1GAAHTT
SCHEMBL6683187 0.85 MMP12 (0.40) MMP12MMP13
SCHEMBL5934913 0.83 MMP12 (0.47) MMP12MMP13KEAP1GAAHTT
SCHEMBL6685713 0.79 MMP12 (0.43) MMP12MMP13
SCHEMBL6687382 0.79 MMP12 (0.43) MMP12MMP13KEAP1GAAHTT
SCHEMBL6687741 0.76 MMP12 (0.40) MMP12MMP13KEAP1GAAHTT
SCHEMBL6681323 0.75 HTT (0.41) MMP12MMP13KEAP1GAAHTT
SCHEMBL7380975 0.73 MMP12 (0.44) MMP12MMP13KEAP1GAAHTT

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
WO-2004058238-A1 USE OF CATHEPSIN K INHIBITORS FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2004-07-15 — — WO claimed
EP-0934291-A4 — SMITHKLINE BEECHAM CORP (US) 1999-08-11 — — EP claimed
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 — — EP claimed
WO-1997016433-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 — — WO claimed
US-6284777-B1 BONE DISORDERS SMITHKLINE BEECHAM CORPORATION 2001-09-04 — — US disclosed
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