SCHEMBL6948494

SCHEMBL6948494

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ FDPS P14324 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ PLA2G4A P47712 1/20 0.35

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
SCHEMBL6946483 0.87 MEN1 (0.46) MEN1KMT2AHRH3CYP1A2CYP3A4
SCHEMBL6947259 0.80 CYP1A2 (0.43) MEN1KMT2AHRH3CYP1A2CYP3A4
SCHEMBL6947449 0.78 HRH3 (0.46) MEN1KMT2AHRH3CYP1A2CYP3A4
SCHEMBL6948498 0.75 MEN1 (0.43) MEN1KMT2AHRH3CYP1A2CYP3A4
SCHEMBL6943326 0.72 PPARA (0.41) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL6943312 0.70 PLA2G7 (0.43) MEN1KMT2AHRH3CYP1A2CYP3A4
SCHEMBL7484970 0.69 MEN1 (0.47) MEN1KMT2AHRH3CYP1A2CYP3A4
SCHEMBL7078220 0.68 MEN1 (0.45) MEN1KMT2AHRH3CYP1A2CYP3A4
SCHEMBL21595882 0.66 HRH3 (0.58) MEN1KMT2AHRH3CYP1A2CYP3A4
SCHEMBL6946607 0.65 SMN1; SMN2 (0.47) 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 1 patent. 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
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