SCHEMBL7945733

SCHEMBL7945733

O=C(O)CCCC(NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.43
TBXAS1 P24557 4/20 0.42
MMP9 P14780 6/20 0.41
MMP2 P08253 4/20 0.41
MMP1 P03956 1/20 0.41
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7956127 0.94 MMP9 (0.46) MMP9MMP2MMP1KDM4EALDH1A1
SCHEMBL7956113 0.89 MMP1 (0.42) TBXAS1MMP9MMP2MMP1KMT2A
SCHEMBL7956056 0.85 ALDH1A1 (0.51) MMP9MMP2MMP1KMT2ATDP1
SCHEMBL7955824 0.83 TBXAS1 (0.42) TBXAS1MMP9MMP1KDM4EALDH1A1
SCHEMBL7955839 0.77 MMP2 (0.42) MMP9MMP2MMP1TDP1KDM4E
SCHEMBL7945731 0.77 MMP2 (0.57) MMP9MMP2MMP1KMT2ATDP1
SCHEMBL7961413 0.75 MMP3 (0.49) MMP9MMP2TDP1KDM4EALDH1A1
SCHEMBL7954067 0.73 MMP2 (0.64) MMP9MMP2MMP1KMT2ATDP1
SCHEMBL1378395 0.71 MMP9 (0.42) MMP9MMP2MMP1KMT2AKDM4E
SCHEMBL1376755 0.70 KMT2A (0.47) MMP9MMP2KMT2AALDH1A1HPGD

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
US-6277987-B1 FOR INHIBITING MATRIX-DEGRADING METALLOPROTEINASES IN MAMMALS NOVARTIS AG (CH) 2001-08-21 US disclosed