SCHEMBL7474074

SCHEMBL7474074

CC(C)CC(C(=O)O)[C@@H](NOC1CCCCO1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MMP1 P03956 1/20 0.32
MMP8 P22894 1/20 0.32
ADAM17 P78536 1/20 0.32
SLC6A3 Q01959 2/20 0.31
CPA1 P15085 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7384882 1.00 MEN1 (0.34) MEN1KMT2AHPGDTSHRNPSR1
SCHEMBL7383746 0.87 MEN1 (0.35) MEN1KMT2AMMP1MMP8ADAM17
SCHEMBL7386458 0.84 MEN1 (0.33) MEN1KMT2ASLC6A3CPA1
SCHEMBL7382361 0.84 MEN1 (0.33) MEN1KMT2ASLC6A3CPA1
SCHEMBL7380103 0.82 MEN1 (0.32) MEN1KMT2AHPGDTSHRMMP1
SCHEMBL7380889 0.82 MEN1 (0.32) MEN1KMT2AHPGDTSHRMMP1
SCHEMBL7410645 0.82 MEN1 (0.32) MEN1KMT2AHPGDTSHRMMP1
SCHEMBL7377470 0.80 MEN1 (0.31) MEN1KMT2A
SCHEMBL7467337 0.80 MEN1 (0.31) MEN1KMT2A
SCHEMBL7383043 0.75 MMP1 (0.34) HPGDTSHRNPSR1MMP1MMP8

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-1019386-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-19 EP disclosed
WO-1998038179-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-09-03 WO disclosed