SCHEMBL5761276

SCHEMBL5761276

O=C(NO)O[C@@H]1[C@@H](O)CCCN1S(=O)(=O)c1ccc(OCc2nc3cc(C(F)(F)F)ccc3s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.43
ADAM17 P78536 7/20 0.43
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
KCNQ1 P51787 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
ALDH1A1 P00352 1/20 0.37
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
MAPK10 P53779 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AKR1B1 P15121 1/20 0.36

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
SCHEMBL5760182 0.89 ADAM17 (0.48) MMP1ADAM17HCRTR1HCRTR2KCNQ1
SCHEMBL5760549 0.87 ALDH1A1 (0.47) MMP1ADAM17ALDH1A1USP2LMNA
SCHEMBL5760409 0.84 MMP1 (0.48) MMP1ADAM17
SCHEMBL8433497 0.82 MMP1 (0.43) MMP1ADAM17HCRTR1HCRTR2KCNQ1
SCHEMBL8433487 0.82 MMP1 (0.43) MMP1ADAM17HCRTR1HCRTR2KCNQ1
SCHEMBL5757157 0.80 MMP1 (0.61) MMP1ADAM17
SCHEMBL8573736 0.78 ADAM17 (0.51) MMP1ADAM17
SCHEMBL8573731 0.78 ADAM17 (0.51) MMP1ADAM17
SCHEMBL6380696 0.77 MMP1 (0.59) MMP1ADAM17
SCHEMBL6384644 0.76 MMP1 (0.46) MMP1ADAM17

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-1104403-B1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PROD INC (US) 2006-05-10 EP claimed