SCHEMBL7955839

SCHEMBL7955839

CN1CCN(c2ccc(S(=O)(=O)NC(CCCC(=O)O)N3C(=O)c4ccccc4C3=O)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
APAF1 O14727 2/20 0.42
MITF O75030 2/20 0.42
HTR7 P34969 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
RORC P51449 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7961413 0.86 MMP3 (0.49) MMP2MMP9NPSR1ALDH1A1SMN1; SMN2
SCHEMBL7956127 0.80 MMP9 (0.46) MMP2MMP9ALDH1A1HSD17B10KDM4E
SCHEMBL7956056 0.80 ALDH1A1 (0.51) MMP2MMP9NPSR1ALDH1A1TDP1
SCHEMBL7955836 0.78 MMP2 (0.52) MMP2MMP9SMN1; SMN2TDP1HTR1A
SCHEMBL7951518 0.77 MMP3 (0.46) MMP2MMP9HTR7NPSR1ALDH1A1
SCHEMBL7945733 0.77 PGR (0.43) MMP2MMP9ALDH1A1TDP1HSD17B10
SCHEMBL7956113 0.76 MMP1 (0.42) MMP2MMP9ALDH1A1HSD17B10KDM4E
SCHEMBL7959175 0.75 MMP2 (0.63) MMP2MMP9HTR1AMMP1MMP14
SCHEMBL7955824 0.74 TBXAS1 (0.42) MMP9ALDH1A1TSHRKDM4EMAPT
SCHEMBL7952565 0.74 LMNA (0.55) MMP2MMP9ALDH1A1TDP1LMNA

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