SCHEMBL8580796

SCHEMBL8580796

O=C(O)c1cc([CH]c2cc(C(=O)O)cc(C(=O)O)c2)cc(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.48
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA7 P43166 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ CA14 Q9ULX7 2/20 0.48
▸ UNG P13051 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ TPMT P51580 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SELL P14151 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SELP P16109 1/20 0.46
▸ FUT4 P22083 1/20 0.46

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
SCHEMBL27807896 0.85 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL7368516 0.83 LCK (0.52) CA12CA1CA2CA7CA9
SCHEMBL16749636 0.83 LCK (0.52) CA12CA1CA2CA7CA9
SCHEMBL26189 0.82 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL22982 0.82 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL3470017 0.81 UNG (0.61) CA12CA1CA2CA7CA9
SCHEMBL3108438 0.79 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL23004950 0.78 CA12 (0.61) CA12CA1CA2CA7CA9
Bromide SCHEMBL3184695 0.78 CA12 (0.61) CA12CA1CA2CA7CA9
Potassium SCHEMBL30862175 0.78 CA12 (0.61) CA12CA1CA2CA7CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 — — US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 — — EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 — — EP disclosed
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