SCHEMBL7699552

SCHEMBL7699552

CCC(Cc1ccc(OCCC2CNCCO2)cc1)(C(=O)O)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.41
MMP9 P14780 11/20 0.41
MMP1 P03956 11/20 0.41
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
ADAM17 P78536 3/20 0.36
PKM P14618 1/20 0.36
ADRA2C P18825 1/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL7511398 0.95 MMP13 (0.45) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7510529 0.92 MMP13 (0.51) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7510025 0.92 MMP13 (0.39) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7643961 0.88 MMP13 (0.42) MMP13MMP9MMP1MMP2MMP8
SCHEMBL8000935 0.84 MMP13 (0.43) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7641613 0.83 MMP13 (0.56) MMP13MMP9MMP1ADAM17
Hydrochloric Acid SCHEMBL7628507 0.82 MMP1 (0.61) MMP13MMP9MMP1ADAM17
SCHEMBL7348654 0.80 MMP9 (0.43) MMP13MMP9MMP1ADAM17LMNA
SCHEMBL7516482 0.79 MMP13 (0.46) MMP13MMP9MMP1MMP2MMP8
SCHEMBL7557038 0.77 MMP13 (0.44) MMP13MMP9MMP1ADAM17SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342508-B1 ENZYME INHIBITORS FOR PROTECTION OF CONNECTIVE TISSUES AMERICAN CYANAMID COMPANY 2002-01-29 US disclosed