SCHEMBL6976704

SCHEMBL6976704

O=C(O)OC1(CS(=O)(=O)CCCOc2cccnc2)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ EPHX2 P34913 2/20 0.39
▸ CYP4F2 P78329 2/20 0.39
▸ CYP4A11 Q02928 2/20 0.39
▸ KMT2A Q03164 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ CHRNB2 P17787 4/20 0.36
▸ CHRNA4 P43681 4/20 0.36
▸ GAA P10253 1/20 0.35
▸ KDM4E B2RXH2 1/20 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
SCHEMBL6968315 0.85 CYP4F2 (0.45) MMP1MMP13EPHX2CYP4F2CYP4A11
SCHEMBL6969747 0.81 MMP13 (0.50) MMP1MMP13GAA
SCHEMBL6976767 0.81 USP2 (0.45) MMP1MMP13EPHX2
SCHEMBL6735747 0.81 CHRNB2 (0.42) MMP1MMP13EPHX2CYP4F2CYP4A11
SCHEMBL6727249 0.76 MMP13 (0.41) MMP1MMP13EPHX2KMT2AGAA
SCHEMBL6972751 0.74 CYP4F2 (0.37) EPHX2CYP4F2CYP4A11KMT2ANAMPT
SCHEMBL6829624 0.73 CHRNB2 (0.41) EPHX2CHRNB2CHRNA4
SCHEMBL6976225 0.73 MMP13 (0.45) MMP1MMP13
SCHEMBL6827826 0.72 CYP4F2 (0.43) MMP1MMP13CYP4F2CYP4A11
SCHEMBL918530 0.72 CHRNB2 (0.53) KMT2ANAMPTCHRNB2CHRNA4

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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