SCHEMBL7046265

SCHEMBL7046265

CC(C)(C)ONC(=O)CCSc1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SDCBP O00560 1/20 0.54
SDC2 P34741 1/20 0.54
HPGD P15428 3/20 0.51
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
HSP90AA1 P07900 1/20 0.48
KCNH2 Q12809 1/20 0.48
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL7862221 0.85 ALDH1A1 (0.61) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7862177 0.83 CYP1A2 (0.54) SDCBPSDC2HPGDCYP1A2CYP3A4
SCHEMBL7016547 0.79 HSP90AA1 (0.50) SDCBPSDC2HPGDPOLBPKM
SCHEMBL7012446 0.76 HSP90AA1 (0.54) SDCBPSDC2HPGDPOLBPKM
SCHEMBL18295921 0.72 L3MBTL1 (0.55) SDCBPSDC2MAPTMEN1KMT2A
SCHEMBL3007532 0.72 HSP90AA1 (0.60) SDCBPSDC2POLBPKMHSP90AA1
SCHEMBL12471416 0.71 HPGD (0.54) SDCBPSDC2HPGDPOLBPKM
SCHEMBL7870786 0.71 ALDH1A1 (0.66) ALDH1A1RAB9ANPC1LMNA
SCHEMBL7651344 0.71 HSP90AA1 (0.51) SDCBPSDC2HPGDPOLBPKM
SCHEMBL11605711 0.71 HSP90AA1 (0.58) SDCBPSDC2HPGDPOLBPKM

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 6 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
EP-0874808-B1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2003-04-09 EP disclosed
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
US-5665777-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1997-09-09 US disclosed