SCHEMBL6946483

SCHEMBL6946483

CC(C)C(CS(=O)(=O)N(C)CCOc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ BLM P54132 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ FDPS P14324 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL6947449 0.87 HRH3 (0.46) MEN1KMT2AHRH3CYP1A2CYP3A4
SCHEMBL6948494 0.87 MEN1 (0.43) MEN1KMT2AHRH3CYP1A2CYP3A4
SCHEMBL6947259 0.85 CYP1A2 (0.43) MEN1KMT2AHRH3CYP1A2CYP3A4
SCHEMBL7078220 0.80 MEN1 (0.45) MEN1KMT2AHRH3CYP1A2CYP3A4
SCHEMBL6943326 0.79 PPARA (0.41) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL7484970 0.78 MEN1 (0.47) MEN1KMT2AHRH3CYP1A2CYP3A4
SCHEMBL6948498 0.76 MEN1 (0.43) MEN1KMT2AHRH3CYP1A2CYP3A4
SCHEMBL28417577 0.73 PPARG (0.55) MEN1KMT2ACYP1A2PPARGPPARA
SCHEMBL21595882 0.70 HRH3 (0.58) MEN1KMT2AHRH3CYP1A2CYP3A4
SCHEMBL7080512 0.70 PPARA (0.44) MEN1KMT2AHRH3CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 — — EP claimed
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 — — US claimed
EP-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 — — EP disclosed
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 — — US disclosed
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