SCHEMBL7870692

SCHEMBL7870692

CCC(C(=O)Oc1ccc([S+]([O-])CC(C)(C)C(=O)O)cc1)c1cccn1C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL7347806 0.84 MEN1 (0.43) MEN1LMNAKMT2AATML3MBTL1
SCHEMBL7387231 0.84 NPC1 (0.32) MEN1LMNAKMT2AELANE
Pivalate SCHEMBL7874022 0.78 MEN1 (0.34) MEN1LMNAKMT2AATML3MBTL1
SCHEMBL7385357 0.76 PTGS2 (0.42) LMNA
SCHEMBL7376958 0.69 KMT2A (0.40) MEN1LMNAKMT2A
SCHEMBL13038658 0.69 PPARA (0.37) MEN1KMT2A
SCHEMBL7379152 0.66 MAOB (0.41) MEN1LMNAKMT2A
SCHEMBL7385350 0.63 GAA (0.38) LMNAKMT2AATML3MBTL1
SCHEMBL7351852 0.63 ELANE (0.57) MEN1LMNAKMT2AATML3MBTL1
SCHEMBL7345565 0.62 MEN1 (0.45) MEN1LMNAKMT2AATML3MBTL1

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
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US claimed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP claimed
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed