SCHEMBL5532812

SCHEMBL5532812

COc1ccc(S(=O)(=O)N2C3CNCCC3CC2(O)C(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.44
MMP9 P14780 3/20 0.44
MMP13 P45452 3/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
ALDH1A1 P00352 4/20 0.42
PKM P14618 4/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.40
PKLR P30613 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL5532810 0.70 MMP1 (0.62) MMP1MMP9MMP13MMP3MMP7
SCHEMBL1656130 0.70 MMP1 (0.62) MMP1MMP9MMP13MMP3MMP7
SCHEMBL10794785 0.63 MMP13 (0.56) MMP1MMP9MMP13MMP3MMP7
SCHEMBL19640805 0.63 ALDH1A1 (0.55) MMP1MMP9MMP13MMP3MMP7
SCHEMBL1352340 0.63 PKM (0.77) ALDH1A1PKMMAPTSMN1; SMN2TSHR
SCHEMBL8060759 0.63 PKM (0.64) MMP1MMP9MMP3MMP7ALDH1A1
Hydrochloric Acid SCHEMBL7349934 0.62 MMP1 (0.75) MMP1MMP9MMP13MMP3MMP7
SCHEMBL7352806 0.62 MMP1 (0.79) MMP1MMP9MMP13MMP3MMP7
Hydrochloric Acid SCHEMBL10798777 0.62 MMP13 (0.55) MMP1MMP9MMP13MMP3MMP7
SCHEMBL10042202 0.62 MMP1 (0.65) MMP1MMP9MMP13MMP3MMP7

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