SCHEMBL6556733

SCHEMBL6556733

CNc1ccc(C(c2ccc(NC(=O)OC(C)(C)C)cc2)c2cc([N+](=O)[O-])ccc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
MAPT P10636 6/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
PKM P14618 2/20 0.41
POLB P06746 1/20 0.41
HTR1E P28566 1/20 0.41
S1PR3 Q99500 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL6557891 0.84 HSD17B10 (0.56) GAAMAPTKMT2AMEN1PKM
SCHEMBL7642018 0.77 HSD17B10 (0.47) GAAMAPTKMT2AMEN1PKM
SCHEMBL6556767 0.77 MAPT (0.57) GAAMAPTKMT2AMEN1POLB
SCHEMBL1532248 0.77 KMT2A (0.59) GAAMMP1MMP2MMP9MMP8
SCHEMBL6557884 0.77 HSD17B10 (0.51) GAAMAPTKMT2AMEN1PKM
SCHEMBL6556699 0.76 MAPT (0.43) MAPTKMT2AMEN1POLBPDK1
SCHEMBL7125255 0.76 RORC (0.62) GAAMAPTKMT2AMEN1PKM
SCHEMBL12031278 0.75 PDK1 (0.63) MAPTKMT2AMEN1PKMPOLB
SCHEMBL28844748 0.74 KMT2A (0.73) GAAMAPTKMT2AMEN1PKM
SCHEMBL6556896 0.73 MAPT (0.40) GAAMAPTKMT2AMEN1PKM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100483-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2004-09-29 EP claimed
JP-2002521430-A 2002-07-16 JP claimed
EP-1100483-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS Abbott Laboratories (US) 2001-05-23 EP claimed
WO-2000006137-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2000-02-10 WO claimed
EP-1100483-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2004-09-29 EP disclosed
EP-1100483-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS Abbott Laboratories (US) 2001-05-23 EP disclosed
US-6166013-A Glucocortiocoid-selective agents ABBOTT LABORATORIES (US) 2000-12-26 US disclosed
WO-2000006137-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2000-02-10 WO disclosed