SCHEMBL7302297

SCHEMBL7302297

CC(C)(C)OC(=O)N1CCC(CSc2ccc(Oc3ccc(Cl)cc3)cc2)(C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
STS P08842 2/20 0.41
LMNA P02545 1/20 0.41
KDM1A O60341 1/20 0.40
MAPT P10636 1/20 0.40
GPR119 Q8TDV5 4/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MMP13 P45452 1/20 0.38
ADAM17 P78536 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
SCHEMBL7302303 0.84 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL6268605 0.81 MMP13 (0.59) GPR119MMP13ADAM17
SCHEMBL6790862 0.81 ALDH1A1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL27464048 0.79 MEN1 (0.41) MEN1KMT2ASMN1; SMN2STSKDM1A
SCHEMBL1003393 0.78 MEN1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2STS
SCHEMBL6785770 0.78 POLB (0.38) ALDH1A1GAALMNAMAPTGPR119
SCHEMBL2409029 0.77 MMP1 (0.50) ALDH1A1SMN1; SMN2GAALMNAMMP13
SCHEMBL27989783 0.76 MEN1 (0.71) MEN1KMT2AALDH1A1SMN1; SMN2STS
SCHEMBL31117881 0.76 MEN1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2STS
SCHEMBL7367231 0.75 MMP13 (0.55) MEN1KMT2ASTSGPR119MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed