SCHEMBL6969747

SCHEMBL6969747

COc1ccc(OCCCS(=O)(=O)CC2(OC(=O)O)CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 5/20 0.50
▸ MMP2 P08253 4/20 0.50
▸ MMP8 P22894 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MMP9 P14780 3/20 0.43
▸ MMP3 P08254 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MMP1 P03956 2/20 0.42
▸ ADAM17 P78536 1/20 0.42
▸ POLB P06746 3/20 0.39
▸ FKBP1A P62942 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ AOC2 O75106 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ DHFR P00374 1/20 0.38

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
SCHEMBL6976767 0.89 USP2 (0.45) MMP13MMP2MMP8LMNAMMP9
SCHEMBL6735054 0.84 MMP13 (0.52) MMP13MMP2MMP8ALDH1A1LMNA
SCHEMBL6976704 0.81 MMP1 (0.40) MMP13GAAMMP1
SCHEMBL6732559 0.81 MMP13 (0.53) MMP13MMP2MMP8ALDH1A1LMNA
SCHEMBL6727303 0.79 MMP13 (0.62) MMP13MMP2MMP8ALDH1A1LMNA
SCHEMBL6976225 0.78 MMP13 (0.45) MMP13MMP2MMP8ALDH1A1LMNA
SCHEMBL6730211 0.73 HDAC3 (0.46) MMP13MMP2MMP8ALDH1A1LMNA
SCHEMBL6735645 0.73 MMP1 (0.47) MMP13MMP2MMP8MMP9MMP3
SCHEMBL6971676 0.72 MMP13 (0.40) MMP13MMP2MMP8ALDH1A1LMNA
SCHEMBL6953375 0.72 SMN1; SMN2 (0.46) MMP13MMP2MMP8LMNAMMP9

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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