SCHEMBL7302303

SCHEMBL7302303

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.42
STS P08842 2/20 0.40
KDM1A O60341 1/20 0.39
MAPT P10636 1/20 0.39
GPR119 Q8TDV5 4/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
VEGFA P15692 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7302297 0.84 MEN1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL27989783 0.74 MEN1 (0.71) MEN1KMT2AALDH1A1SMN1; SMN2STS
SCHEMBL6790862 0.72 ALDH1A1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL6785770 0.70 POLB (0.38) ALDH1A1GAAMAPTGPR119LMNA
SCHEMBL557597 0.70 DRD2 (0.61) MEN1KMT2AALDH1A1SMN1; SMN2STS
SCHEMBL8425470 0.70 MEN1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL1001982 0.69 MEN1 (0.53) MEN1KMT2ASMN1; SMN2STSHTT
SCHEMBL31117881 0.69 MEN1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2STS
SCHEMBL7367231 0.69 MMP13 (0.55) MEN1KMT2ASTSGPR119
SCHEMBL23329451 0.69 RORC (0.43) MEN1KMT2AALDH1A1MAPTGPR119

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