SCHEMBL7031074

SCHEMBL7031074

COc1ccc(S(=O)(=O)N2CC=CCC(NC(=O)OCc3ccc(Cl)cc3)C2OC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
PKM P14618 2/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
MMP1 P03956 8/20 0.41
MMP9 P14780 7/20 0.41
MMP3 P08254 5/20 0.41
MMP13 P45452 4/20 0.41
MMP7 P09237 3/20 0.41
MMP2 P08253 3/20 0.40
MMP8 P22894 3/20 0.40
ADAM17 P78536 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
EGFR P00533 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
SCHEMBL7028577 0.93 HCRTR1 (0.46) SMN1; SMN2PKMHTTALDH1A1LMNA
SCHEMBL6076418 0.88 SMN1; SMN2 (0.52) SMN1; SMN2PKMHTTALDH1A1LMNA
SCHEMBL6075541 0.81 HCRTR1 (0.47) SMN1; SMN2PKMHTTMMP1MMP9
SCHEMBL6075529 0.80 PKM (0.52) SMN1; SMN2PKMHTTMMP1MMP9
SCHEMBL7422439 0.78 MMP1 (0.57) SMN1; SMN2PKMHTTMMP1MMP9
SCHEMBL6075725 0.78 PKM (0.52) SMN1; SMN2PKMHTTMMP1MMP9
SCHEMBL6075748 0.78 PKM (0.49) SMN1; SMN2PKMHTTMMP1MMP9
SCHEMBL6075466 0.76 PKM (0.47) SMN1; SMN2PKMHTTMMP1MMP9
SCHEMBL6075584 0.74 ALDH1A1 (0.42) SMN1; SMN2PKMHTTALDH1A1LMNA
SCHEMBL6076126 0.73 MMP3 (0.47) MMP1MMP9MMP3MMP13MMP7

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