SCHEMBL5545529

SCHEMBL5545529

COc1ccc(S(=O)(=O)N2C(C(=O)O)CC3CCN(C(=O)c4ccccc4)C[C@@H]32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.61
MMP2 P08253 1/20 0.61
MMP12 P39900 1/20 0.61
MMP1 P03956 4/20 0.56
MMP13 P45452 4/20 0.56
MMP3 P08254 3/20 0.56
MMP7 P09237 3/20 0.56
ALDH1A1 P00352 2/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC18A3 Q16572 2/20 0.48
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
HIF1A Q16665 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CRHBP P24387 1/20 0.46

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
SCHEMBL1656113 1.00 MMP9 (0.61) MMP9MMP2MMP12MMP1MMP13
SCHEMBL1655595 0.91 MMP9 (0.75) MMP9MMP2MMP12MMP1MMP13
SCHEMBL1658419 0.89 MMP9 (0.59) MMP9MMP2MMP12MMP1MMP13
SCHEMBL5546935 0.89 MMP9 (0.61) MMP9MMP2MMP12MMP1MMP13
SCHEMBL2925250 0.89 MMP9 (0.61) MMP9MMP2MMP12MMP1MMP13
SCHEMBL2922365 0.88 MMP9 (0.57) MMP9MMP2MMP12MMP1MMP13
SCHEMBL1655569 0.88 MMP9 (0.60) MMP9MMP2MMP12MMP1MMP13
SCHEMBL5531373 0.88 MMP9 (0.60) MMP9MMP2MMP12MMP1MMP13
SCHEMBL2927761 0.87 MMP9 (0.53) MMP9MMP2MMP12MMP1MMP13
SCHEMBL1658424 0.87 MMP9 (0.62) MMP9MMP2MMP12MMP1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768979-A1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-04 EP disclosed
WO-2006008303-A1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-01-26 WO disclosed