SCHEMBL7866928

SCHEMBL7866928

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ RECQL P46063 2/20 0.49
▸ HSD11B1 P28845 1/20 0.49
▸ KMT2A Q03164 4/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ PKM P14618 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ NR4A1 P22736 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ DUSP3 P51452 1/20 0.42
▸ PTPN5 P54829 1/20 0.42
▸ PTPN11 Q06124 1/20 0.42
▸ ESR2 Q92731 1/20 0.42

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
SCHEMBL7866978 0.78 KMT2A (0.60) NPC1RAB9AL3MBTL1RECQLHSD11B1
SCHEMBL8448682 0.78 TDP1 (0.57) NPC1RAB9AL3MBTL1ALDH1A1TDP1
SCHEMBL7862162 0.78 MMP9 (0.56) RECQLHSD11B1KMT2AALDH1A1TDP1
SCHEMBL6180942 0.77 NPC1 (0.63) NPC1RAB9AL3MBTL1RECQLHSD11B1
SCHEMBL780498 0.77 NPC1 (0.63) NPC1RAB9AL3MBTL1RECQLHSD11B1
SCHEMBL5218244 0.76 NPC1 (0.81) NPC1RAB9AL3MBTL1KMT2ALMNA
SCHEMBL6168486 0.76 CA1 (0.62) NPC1RAB9AL3MBTL1KMT2AALDH1A1
SCHEMBL6129860 0.74 ALDH1A1 (0.51) RAB9ARECQLHSD11B1KMT2APAX8
SCHEMBL7365625 0.73 PSIP1 (0.52) HSD11B1KMT2AALDH1A1TDP1MAPT
SCHEMBL28629860 0.73 NPC1 (0.71) NPC1RAB9AL3MBTL1KMT2AALDH1A1

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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