SCHEMBL8734287

SCHEMBL8734287

O=Cc1cc(Cl)c(OCC(=O)O)c(Cc2ccc3c(Cl)cccc3c2)c1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
THRA P10827 4/20 0.37
THRB P10828 4/20 0.37
HIF1A Q16665 1/20 0.37
SLC22A12 Q96S37 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
ERN1 O75460 4/20 0.35
CD69 Q07108 1/20 0.34
PTPN1 P18031 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8733903 0.86 PTGDR2 (0.40) KMT2AKDM4ETHRATHRBPTGDR2
SCHEMBL8733885 0.83 KMT2A (0.39) KMT2AKDM4EPKMHTTTHRA
SCHEMBL8905228 0.83 ERN1 (0.39) KMT2AKDM4ETHRATHRBERN1
SCHEMBL8904950 0.81 ERN1 (0.38) KMT2AERN1ALDH1A1TDP1
SCHEMBL8734319 0.80 CTSD (0.40) KMT2AKDM4ETHRATHRBPTGDR2
SCHEMBL8736522 0.78 THRA (0.40) KMT2AKDM4EPKMHTTTHRA
SCHEMBL8904217 0.77 MEN1 (0.36) KMT2AERN1ALDH1A1TDP1
SCHEMBL8734491 0.77 CETP (0.39) KMT2AKDM4ETHRATHRBPTGDR2
SCHEMBL8904212 0.76 ERN1 (0.36) KMT2AHTTTHRATHRBERN1
SCHEMBL8736524 0.74 PTGDR2 (0.45) KDM4EPKMTHRATHRBPTGDR2

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 2 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