SCHEMBL8733903

SCHEMBL8733903

O=Cc1ccc(OCC(=O)O)c(Cc2ccc3c(Cl)cccc3c2)c1O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.40
PTPN1 P18031 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
THRA P10827 3/20 0.37
THRB P10828 3/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
LTB4R Q15722 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
CETP P11597 1/20 0.35
CYP2C19 P33261 1/20 0.34

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
SCHEMBL8734319 0.88 CTSD (0.40) PTGDR2PTPN1TDP1KDM4EALDH1A1
SCHEMBL8736524 0.88 PTGDR2 (0.45) PTGDR2PTPN1TDP1KDM4EALDH1A1
SCHEMBL8734287 0.86 KMT2A (0.42) PTGDR2PTPN1TDP1KDM4EALDH1A1
SCHEMBL8736063 0.85 CETP (0.49) PTGDR2PTPN1TDP1KDM4EALDH1A1
SCHEMBL8736522 0.83 THRA (0.40) PTGDR2PTPN1TDP1KDM4EALDH1A1
SCHEMBL8734491 0.83 CETP (0.39) PTGDR2PTPN1TDP1KDM4EALDH1A1
SCHEMBL8904217 0.82 MEN1 (0.36) TDP1ALDH1A1KMT2ACETP
SCHEMBL8904212 0.81 ERN1 (0.36) TDP1ALDH1A1THRATHRBKMT2A
SCHEMBL8905228 0.78 ERN1 (0.39) TDP1KDM4EALDH1A1HPGDTHRA
SCHEMBL8733885 0.77 KMT2A (0.39) PTPN1KDM4ETHRATHRBKMT2A

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 4 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
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
WO-1997008126-A1 PHENOXY ACETIC ACIDS AS ALDOSE REDUCTASE INHIBITORS AND ANTIHYPERGLYCEMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-03-06 WO disclosed