SCHEMBL8733973

SCHEMBL8733973

O=Cc1ccc(OCC(=O)O)c(Cc2cccc3ccccc23)c1O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
CETP P11597 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.48
PLA2G1B P04054 3/20 0.48
P2RX3 P56373 3/20 0.45
PLA2G2A P14555 2/20 0.45
BCL2L1 Q07817 1/20 0.41
NQO1 P15559 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL8736063 0.80 CETP (0.49) TDP1KDM4EALDH1A1HPGDCETP
SCHEMBL8736604 0.77 TDP1 (0.53) TDP1KDM4EALDH1A1HPGDPTGDR2
SCHEMBL8733903 0.77 PTGDR2 (0.40) TDP1KDM4EALDH1A1HPGDCETP
SCHEMBL8736524 0.77 PTGDR2 (0.45) TDP1KDM4EALDH1A1HPGDCETP
SCHEMBL2649228 0.73 PTGDR2 (0.66) TDP1KDM4EALDH1A1HPGDPTGDR2
SCHEMBL27925883 0.72 ALDH1A1 (0.68) TDP1KDM4EALDH1A1HPGDPTGDR2
SCHEMBL2560912 0.71 L3MBTL1 (0.67) TDP1KDM4EALDH1A1HPGDPTGDR2
Naphthyloxyacetic Acid SCHEMBL8920389 0.70 ALDH1A1 (0.79) TDP1KDM4EALDH1A1HPGDPLA2G1B
Naphthyloxyacetic Acid SCHEMBL29364154 0.70 KDM4E (1.00) TDP1KDM4EALDH1A1HPGDPTGDR2
Naphthyloxyacetic Acid SCHEMBL120838 0.70 KDM4E (1.00) TDP1KDM4EALDH1A1HPGDPTGDR2

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