SCHEMBL8044110

SCHEMBL8044110

O=C(CN(CCN1CCOCC1)S(=O)(=O)Cc1ccccc1)NO

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.59
BMP1 P13497 1/20 0.50
RORC P51449 3/20 0.47
LMNA P02545 1/20 0.45
CYP2C19 P33261 1/20 0.45
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 2/20 0.44
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 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
SCHEMBL6794166 0.79 MMP3 (0.69) MMP3BMP1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL8039632 0.76 MMP3 (0.57) MMP3BMP1
SCHEMBL8038079 0.75 MMP3 (0.53) MMP3BMP1CYP2C19ALDH1A1KMT2A
SCHEMBL7918690 0.75 CA1 (0.60) MMP3RORCALDH1A1KMT2AMEN1
SCHEMBL7350845 0.74 MMP3 (1.00) MMP3BMP1ALDH1A1KMT2AMEN1
SCHEMBL8038065 0.73 CNR2 (0.59) MMP3BMP1KMT2AMEN1
SCHEMBL8041116 0.73 MMP2 (0.55) MMP3RORCKMT2AMEN1
SCHEMBL8037741 0.73 CNR2 (0.59) MMP3BMP1KMT2AMEN1
SCHEMBL6843429 0.73 CNR2 (0.59) MMP3BMP1KMT2AMEN1
SCHEMBL6795800 0.72 BMP1 (0.69) MMP3BMP1LMNACYP2C19SMN1; SMN2

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-6124329-A AN ENZYME INHIBITOR FOR THE TREATMENT OR PROPHYLAXIS OF TISSUE BREAKDOWN, FOR EXAMPLE RHEUMATOID ARTHRITIS, OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR, MULTIPLE SCLEROSIS BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2000-09-26 US disclosed
EP-0766664-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2000-04-05 EP disclosed
EP-0766664-A2 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-04-09 EP disclosed
WO-1995035275-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-12-28 WO disclosed