SCHEMBL7019742

SCHEMBL7019742

CC(=O)CCC(N1CCOCC1)S(=O)(=O)N1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP5 P45974 4/20 0.40
ALDH1A1 P00352 2/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.38
CCR1 P32246 6/20 0.38
DRD2 P14416 1/20 0.38
MCHR1 Q99705 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
USP3 Q9Y6I4 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
SCHEMBL7018357 0.80 MMP1 (0.49) ALDH1A1KMT2A
SCHEMBL7017112 0.75 MMP2 (0.42) USP5ALDH1A1MMP2MMP9MMP13
SCHEMBL942563 0.70 MCHR1 (0.52) ALDH1A1KMT2AKDM4EDRD2MCHR1
SCHEMBL21714588 0.70 L3MBTL1 (0.53) USP5ALDH1A1MMP2MMP9MMP13
SCHEMBL7023218 0.69 MMP1 (0.53) ALDH1A1KMT2A
SCHEMBL7373117 0.68 CCR1 (0.41) CCR1DRD2MCHR1
SCHEMBL942107 0.67 MMP3 (0.45) USP5ALDH1A1MMP2MMP9MMP13
SCHEMBL942579 0.66 TP53 (0.56) USP5ALDH1A1TP53DRD2MCHR1
SCHEMBL22581743 0.66 TP53 (0.59) USP5ALDH1A1KMT2ATP53CCR1
SCHEMBL7018744 0.65 COMT (0.45) USP5ALDH1A1SMN1; SMN2CCR1DRD2

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-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed