SCHEMBL7866978

SCHEMBL7866978

Cc1ccc(C(=O)Cc2ccc(S(=O)(=O)CCC(=O)O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.60
▸ PAX8 Q06710 2/20 0.60
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HTT P42858 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ HSD11B1 P28845 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL7704838 0.85 ALDH1A1 (0.67) KMT2APAX8HTTNPSR1ALDH1A1
SCHEMBL7868867 0.83 ALDH1A1 (0.65) KMT2APAX8HTTNPSR1ALDH1A1
SCHEMBL7862237 0.81 KMT2A (0.57) KMT2APAX8HTTNPSR1ALDH1A1
SCHEMBL1951415 0.80 KMT2A (0.76) KMT2APAX8ALDH1A1RECQLHSD11B1
SCHEMBL780498 0.79 NPC1 (0.63) KMT2APAX8NPC1RAB9AL3MBTL1
SCHEMBL6180942 0.79 NPC1 (0.63) KMT2APAX8NPC1RAB9AL3MBTL1
SCHEMBL28629860 0.78 NPC1 (0.71) KMT2ANPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL7866928 0.78 NPC1 (0.51) KMT2APAX8NPC1RAB9AL3MBTL1
SCHEMBL5218244 0.78 NPC1 (0.81) KMT2ANPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL6168486 0.78 CA1 (0.62) KMT2ANPC1RAB9AL3MBTL1ALDH1A1

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
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