SCHEMBL6575901

SCHEMBL6575901

O=C(NO)C(CCCc1ccccc1)CS(=O)(=O)N1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 9/20 0.60
MMP2 P08253 6/20 0.60
MMP9 P14780 6/20 0.60
MMP1 P03956 6/20 0.57
MMP3 P08254 5/20 0.57
TSHR P16473 3/20 0.45
HPGD P15428 1/20 0.45
MMP7 P09237 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
FKBP1A P62942 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL6578656 0.88 MMP2 (0.54) MMP8MMP2MMP9MMP1MMP3
SCHEMBL6578384 0.85 HPGD (0.44) MMP8MMP2MMP9TSHRHPGD
SCHEMBL6578655 0.76 MMP2 (0.53) MMP8MMP2MMP9MMP1MMP3
SCHEMBL5196301 0.75 HDAC3 (0.63) MMP8MMP2MMP9MMP1MMP3
SCHEMBL6575904 0.74 MMP1 (0.55) MMP8MMP2MMP9MMP1MMP3
SCHEMBL7333389 0.74 CYP1A2 (0.54) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL6578119 0.74 MMP2 (0.56) MMP8MMP2MMP9MMP1MMP3
SCHEMBL3266606 0.72 HTT (0.48) MMP8MMP2MMP9MMP1MMP3
SCHEMBL6806277 0.71 MMP7 (0.52) MMP8MMP2MMP9MMP1MMP3
SCHEMBL6578667 0.71 STS (0.51) MMP8MMP2MMP9MMP1MMP3

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-0968182-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2004-05-06 EP claimed