SCHEMBL5381528

SCHEMBL5381528

CC(C)CC(C(=O)N1CCN(c2noc(-c3cccs3)n2)CC1)C(O)C(=O)NO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MMP1 P03956 2/20 0.47
▸ MMP2 P08253 2/20 0.47
▸ MMP8 P22894 2/20 0.47
▸ CTSK P43235 6/20 0.42
▸ CTSL P07711 5/20 0.42
▸ CTSS P25774 5/20 0.42
▸ CTSB P07858 3/20 0.39
▸ MMP13 P45452 2/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ ADAM17 P78536 3/20 0.38
▸ MMP12 P39900 2/20 0.37
▸ ADAM10 O14672 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 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
SCHEMBL2246821 1.00 NPC1 (0.51) NPC1RAB9AMMP1MMP2MMP8
SCHEMBL8272256 1.00 NPC1 (0.51) NPC1RAB9AMMP1MMP2MMP8
SCHEMBL2549237 1.00 NPC1 (0.51) NPC1RAB9AMMP1MMP2MMP8
SCHEMBL2252330 0.90 NPC1 (0.53) NPC1RAB9ACTSKCTSLCTSS
SCHEMBL5377990 0.87 MMP2 (0.51) MMP1MMP2MMP8MMP13MMP3
SCHEMBL2244739 0.87 MMP2 (0.51) MMP1MMP2MMP8MMP13MMP3
SCHEMBL2246882 0.86 MMP1 (0.50) MMP1MMP2MMP8MMP13MMP3
SCHEMBL2546161 0.86 MMP1 (0.50) MMP1MMP2MMP8MMP13MMP3
SCHEMBL2244432 0.78 S1PR1 (0.41) MMP1MMP2MMP8MMP13MMP3
SCHEMBL2552852 0.78 S1PR1 (0.41) MMP1MMP2MMP8MMP13MMP3

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-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 — — EP disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 — — WO disclosed
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