SCHEMBL8735765

SCHEMBL8735765

COc1c(O)ccc(O)c1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 1/20 0.55
ALDH1A1 P00352 4/20 0.49
LCK P06239 1/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
LIMK1 P53667 1/20 0.49
LIMK2 P53671 1/20 0.49
ERN1 O75460 10/20 0.46
TRIM24 O15164 2/20 0.46
TRIM33 Q9UPN9 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42

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
SCHEMBL10923461 0.88 ERN1 (0.53) CA1CA2ALDH1A1LCKGLA
SCHEMBL7939012 0.86 CA1 (0.59) CA1CA2ALDH1A1LCKGLA
SCHEMBL31562444 0.86 CA1 (0.46) CA1CA2ALDH1A1LCKGLA
SCHEMBL3936411 0.86 ERN1 (0.51) CA1CA2ALDH1A1LCKGLA
SCHEMBL10920936 0.84 ALDH1A1 (0.46) CA1CA2ALDH1A1LCKGLA
SCHEMBL5250735 0.84 ERN1 (0.59) CA1CA2ALDH1A1LCKGLA
SCHEMBL31035587 0.84 ERN1 (0.54) CA1CA2ALDH1A1LCKGLA
SCHEMBL29952736 0.81 TDP1 (0.49) CA1CA2ALDH1A1LCKGLA
SCHEMBL10923398 0.81 FDPS (0.44) CA1CA2ALDH1A1LCKGLA
SCHEMBL28577429 0.79 CA1 (0.47) CA1CA2ALDH1A1LCKGLA

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
EP-0847379-A1 PHENOXY ACETIC ACIDS AS ALDOSE REDUCTASE INHIBITORS AND ANTIHYPERGLYCEMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-06-17 EP disclosed
US-5677342-A ANTIDIABETIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1997-10-14 US disclosed
WO-1997008126-A1 PHENOXY ACETIC ACIDS AS ALDOSE REDUCTASE INHIBITORS AND ANTIHYPERGLYCEMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-03-06 WO disclosed