SCHEMBL7536033

SCHEMBL7536033

NC(=O)C(CC(=O)NN1CCOCC1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.45
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.43
CPA1 P15085 2/20 0.42
CPA3 P15088 2/20 0.42
FOLH1 Q04609 1/20 0.42
CPB1 P15086 1/20 0.42
CPB2 Q96IY4 1/20 0.42
LIPE Q05469 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL7536026 1.00 MMP8 (0.45) MMP8USP2HTTCYP1A2CPA1
SCHEMBL7288147 0.91 CPA1 (0.53) MMP8USP2HTTCYP1A2CPA1
SCHEMBL7287460 0.84 LIPE (0.52) MMP8USP2HTTCYP1A2LIPE
SCHEMBL7539288 0.81 FKBP1A (0.56) MMP8USP2SMN1; SMN2MEN1ALDH1A1
SCHEMBL7539281 0.81 FKBP1A (0.56) MMP8USP2SMN1; SMN2MEN1ALDH1A1
SCHEMBL7281480 0.79 MMP1 (0.43) MMP8LTA4H
SCHEMBL6754301 0.78 MMP8 (0.50) MMP8USP2HTTCDK5CDK5R1
SCHEMBL6754303 0.78 MMP8 (0.50) MMP8USP2HTTCDK5CDK5R1
SCHEMBL2680002 0.77 CPA3 (0.55) MMP8CPA3FOLH1MEN1ALDH1A1
SCHEMBL6790329 0.77 SMN1; SMN2 (0.59) USP2HTTCYP1A2LIPECDK5

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-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed