SCHEMBL6971676

SCHEMBL6971676

COc1ccc(OCCCS(=O)(=O)CC2(C(=O)O)CCOC(C)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 5/20 0.40
▸ MMP2 P08253 4/20 0.40
▸ MMP8 P22894 4/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ PPARD Q03181 1/20 0.36
▸ MMP9 P14780 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MMP3 P08254 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RYR2 Q92736 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MMP1 P03956 2/20 0.35

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
SCHEMBL6977761 0.90 HRH3 (0.39) ALDH1A1PPARDMMP3
SCHEMBL6735054 0.85 MMP13 (0.52) MMP13MMP2MMP8ALDH1A1MMP9
SCHEMBL6972751 0.84 CYP4F2 (0.37) KMT2A
SCHEMBL6732559 0.78 MMP13 (0.53) MMP13MMP2MMP8ALDH1A1HTT
SCHEMBL6727303 0.76 MMP13 (0.62) MMP13MMP2MMP8ALDH1A1MMP9
SCHEMBL6735645 0.74 MMP1 (0.47) MMP13MMP2MMP8KMT2AMEN1
SCHEMBL6727259 0.73 MMP1 (0.43) MMP13MMP2MMP8ALDH1A1HTT
SCHEMBL6969747 0.72 MMP13 (0.50) MMP13MMP2MMP8ALDH1A1MMP9
SCHEMBL6827826 0.72 CYP4F2 (0.43) MMP13MMP2MMP8ALDH1A1MMP9
SCHEMBL6730211 0.70 HDAC3 (0.46) MMP13MMP2MMP8ALDH1A1HTT

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-1053233-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LTD (GB) 2003-08-20 — — EP claimed
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