SCHEMBL7028577

SCHEMBL7028577

COc1ccc(S(=O)(=O)N2CC=CCC(NC(=O)OCc3cc(Cl)cc(Cl)c3)C2OC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.46
HCRTR2 O43614 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 2/20 0.45
HTT P42858 1/20 0.45
MMP1 P03956 7/20 0.41
MMP9 P14780 7/20 0.41
MMP3 P08254 6/20 0.41
MMP7 P09237 4/20 0.41
MMP13 P45452 3/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
MMP2 P08253 4/20 0.38
MMP8 P22894 4/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7031074 0.93 SMN1; SMN2 (0.50) HCRTR1HCRTR2SMN1; SMN2PKMHTT
SCHEMBL6075541 0.88 HCRTR1 (0.47) HCRTR1HCRTR2SMN1; SMN2PKMHTT
SCHEMBL6076418 0.81 SMN1; SMN2 (0.52) HCRTR1HCRTR2SMN1; SMN2PKMHTT
SCHEMBL6075529 0.78 PKM (0.52) SMN1; SMN2PKMHTTMMP1MMP9
SCHEMBL7422439 0.76 MMP1 (0.57) SMN1; SMN2PKMHTTMMP1MMP9
SCHEMBL6075725 0.74 PKM (0.52) SMN1; SMN2PKMHTTMMP1MMP9
SCHEMBL6075748 0.74 PKM (0.49) HCRTR1HCRTR2SMN1; SMN2PKMHTT
SCHEMBL6075466 0.74 PKM (0.47) SMN1; SMN2PKMHTTMMP1MMP9
SCHEMBL6076126 0.72 MMP3 (0.47) MMP1MMP9MMP3MMP7MMP13
SCHEMBL7033779 0.70 MMP1 (0.44) SMN1; SMN2PKMMMP1MMP9MMP3

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
EP-1042297-B1 CARBOXYL ACID SUBSTITUTED HETEROCYCLES AS METALLOPROTEINASE INHIBITORS AMGEN INC (US) 2003-02-26 EP claimed