SCHEMBL8399642

SCHEMBL8399642

O=c1c(O)c(O)c(=O)c1=O.O=c1c(O)c(O)c(=O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.36
▸ GSTP1 P09211 1/20 0.36
▸ TXNRD1 Q16881 1/20 0.36
▸ TXNRD3 Q86VQ6 1/20 0.36
▸ TXNRD2 Q9NNW7 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL159013 1.00 GSR (0.36) GSRGSTP1TXNRD1TXNRD3TXNRD2
SCHEMBL916303 1.00 GSR (0.36) GSRGSTP1TXNRD1TXNRD3TXNRD2
Water SCHEMBL19019782 0.95 KDM4E (0.40) GSRGSTP1TXNRD1TXNRD3TXNRD2
Water SCHEMBL9057534 0.95 KDM4E (0.40) GSRGSTP1TXNRD1TXNRD3TXNRD2
SCHEMBL5078531 0.95 GSR (0.35) GSRGSTP1TXNRD1TXNRD3TXNRD2
SCHEMBL14716520 0.95 KDM4E (0.43) GSRGSTP1TXNRD1TXNRD3TXNRD2
SCHEMBL6520098 0.95 GSR (0.35) GSRGSTP1TXNRD1TXNRD3TXNRD2
SCHEMBL2112332 0.95 GSR (0.35) GSRGSTP1TXNRD1TXNRD3TXNRD2
Water SCHEMBL4930788 0.95 KDM4E (0.40) GSRGSTP1TXNRD1TXNRD3TXNRD2
SCHEMBL56172 0.95 — —

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
US-5972044-A Composition and method for dyeing keratin fibers WELLA AG (DE) 1999-10-26 — — US disclosed
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