SCHEMBL6874205

SCHEMBL6874205

O=C(NO)OC1(NS(=O)(=O)c2ccc3c(c2)oc2ccccc23)CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ MMP13 P45452 14/20 0.42
▸ MMP1 P03956 12/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ USP2 O75604 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MMP12 P39900 4/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ MMP3 P08254 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
SCHEMBL6770863 0.82 MMP1 (0.60) MMP13MMP1MMP12MMP2MMP3
SCHEMBL6770965 0.80 PLG (0.52) TSHRMMP13MMP1ALDH1A1USP2
SCHEMBL6954028 0.78 MMP1 (0.69) MMP13MMP1MMP12MMP2MMP3
SCHEMBL6771108 0.74 MMP1 (0.51) MMP13MMP1ALDH1A1USP2LMNA
SCHEMBL6950277 0.74 MMP1 (0.66) MMP13MMP1MMP12MMP2MMP3
SCHEMBL6947434 0.72 MMP1 (0.69) MMP13MMP1MMP12MMP2MMP3
SCHEMBL6772598 0.72 HTT (0.55) TSHRMMP13ALDH1A1USP2LMNA
SCHEMBL6954264 0.72 MMP1 (0.70) MMP13MMP1MMP12MMP2MMP3
Hydroxyamine SCHEMBL7578513 0.70 HTT (0.53) TSHRMMP13ALDH1A1USP2LMNA
SCHEMBL7214305 0.69 MMP1 (0.67) MMP13MMP1MMP12MMP2MMP3

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-1210326-B1 HYDROXAMIC ACID COMPOUNDS USEFUL AS MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-02-25 — — EP claimed
Send feedback