SCHEMBL9574086

SCHEMBL9574086

C1CCC(NC2CCCCC2)CC1.COC(=O)[C@H](CCCc1ccccc1)CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.60
MMP3 P08254 10/20 0.60
MMP1 P03956 5/20 0.53
EPHX2 P34913 1/20 0.48
EPHX1 P07099 2/20 0.47

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
SCHEMBL9574068 0.87 MMP2 (0.57) MMP2MMP3
SCHEMBL12162457 0.87 MMP2 (0.57) MMP2MMP3
SCHEMBL9555874 0.79 KMT2A (0.53) MMP2MMP3
SCHEMBL1405655 0.79 KMT2A (0.53) MMP2MMP3
SCHEMBL1858600 0.78 GRIK1 (0.54) MMP2MMP3
SCHEMBL9574079 0.78 CASP1 (0.54) MMP2MMP3MMP1EPHX1
SCHEMBL7899184 0.78 KMT2A (0.49) MMP2MMP3
SCHEMBL1859940 0.76 GRIK1 (0.51) MMP2MMP3
SCHEMBL5408737 0.75 MMP2 (0.51) MMP2MMP3MMP1EPHX2EPHX1
SCHEMBL7427000 0.75 MMP2 (0.53) MMP2MMP3

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-0561758-A2 Method of preparing optically active homo-beta-amino acids MONSANTO COMPANY (US) 1993-09-22 EP disclosed