SCHEMBL3704136

SCHEMBL3704136

C[C@H]1CN(C(=O)O)CCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.58
MMP1 P03956 3/20 0.48
MMP9 P14780 3/20 0.48
MMP13 P45452 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
EPHX2 P34913 2/20 0.43
LIPE Q05469 1/20 0.43
MMP3 P08254 2/20 0.43
MMP7 P09237 2/20 0.43
EPHX1 P07099 1/20 0.43
AKR1C3 P42330 1/20 0.43
PPARD Q03181 1/20 0.43

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
SCHEMBL3696020 1.00 HSD11B1 (0.58) HSD11B1MMP1MMP9MMP13MEN1
SCHEMBL308000 0.87 MMP1 (0.58) HSD11B1MMP1MMP9MMP13MEN1
SCHEMBL309347 0.87 MMP1 (0.58) HSD11B1MMP1MMP9MMP13MEN1
SCHEMBL2170723 0.84 HSD11B1 (0.49) HSD11B1
SCHEMBL1430398 0.84 HSD11B1 (0.49) HSD11B1
SCHEMBL308001 0.84 MMP1 (0.45) HSD11B1MMP1MMP9MMP13MEN1
SCHEMBL309348 0.84 MMP1 (0.45) HSD11B1MMP1MMP9MMP13MEN1
SCHEMBL4943200 0.81 L3MBTL1 (0.64) MEN1KMT2A
SCHEMBL2690125 0.81 MMP1 (0.58) HSD11B1MMP1MMP9MMP13MEN1
SCHEMBL2690128 0.81 MMP1 (0.58) HSD11B1MMP1MMP9MMP13MEN1

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-2313413-B1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES CONVERGENCE PHARMACEUTICALS (GB) 2012-05-16 EP disclosed