SCHEMBL8908528

SCHEMBL8908528

O=C(O)COC(CC(=O)O)C(=O)O.O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.37
▸ TDP1 Q9NUW8 3/20 0.35
▸ CA12 O43570 3/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA7 P43166 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ CA14 Q9ULX7 3/20 0.33
▸ LCK P06239 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ TPMT P51580 3/20 0.32
▸ CA3 P07451 2/20 0.32
▸ CA4 P22748 2/20 0.32
▸ CA6 P23280 2/20 0.32
▸ CA5A P35218 2/20 0.32
▸ CA5B Q9Y2D0 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL38290 0.84 TDP1 (0.42) FOLH1TDP1LMNASMN1; SMN2TSHR
SCHEMBL11687090 0.82 TDP1 (0.40) FOLH1TDP1LMNASMN1; SMN2TSHR
SCHEMBL11150705 0.82 TDP1 (0.40) FOLH1TDP1LMNASMN1; SMN2TSHR
SCHEMBL5681308 0.82 TDP1 (0.40) FOLH1TDP1LMNASMN1; SMN2TSHR
SCHEMBL11293617 0.82 TDP1 (0.40) FOLH1TDP1LMNASMN1; SMN2TSHR
SCHEMBL11687100 0.82 TDP1 (0.40) FOLH1TDP1LMNASMN1; SMN2TSHR
SCHEMBL10710195 0.82 TDP1 (0.40) FOLH1TDP1LMNASMN1; SMN2TSHR
SCHEMBL11388252 0.82 TDP1 (0.40) FOLH1TDP1LMNASMN1; SMN2TSHR
SCHEMBL616354 0.82 TDP1 (0.40) FOLH1TDP1LMNASMN1; SMN2TSHR
Ammonia Solution, Strong SCHEMBL11291772 0.82 TDP1 (0.46) FOLH1TDP1LMNASMN1; SMN2TSHR

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-5658867-A Cleaning compositions containing a crystalline builder material in selected particle size ranges for improved performance THE PROCTER & GAMBLE COMPANY (US) 1997-08-19 — — US disclosed
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