SCHEMBL6577941

SCHEMBL6577941

O=C(O)c1ccc(C(=O)OCC(O)O)c(CC(O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
ADRB2 P07550 8/20 0.35
ADRB1 P08588 8/20 0.35
ADRB3 P13945 8/20 0.35
KDM4E B2RXH2 1/20 0.34
PTPN1 P18031 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 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
SCHEMBL29751652 0.85 KDM4E (0.39) MAPTALDH1A1TSHRMAPK1ACE2
SCHEMBL125462 0.84 KDM4E (0.46) MAPTALDH1A1TSHRMAPK1ACE2
SCHEMBL8581242 0.83 MAPT (0.44) MAPTALDH1A1TSHRMAPK1ACE2
SCHEMBL29111402 0.82 SERPINE1 (0.46) MAPTALDH1A1TSHRMAPK1ADRB2
SCHEMBL9807482 0.81 MAPT (0.37) MAPTALDH1A1TSHRMAPK1ACE2
SCHEMBL351318 0.76 MAPT (0.64) MAPTALDH1A1TSHRADRB2ADRB1
SCHEMBL29162948 0.74 MAPT (0.62) MAPTALDH1A1TSHRADRB2ADRB1
SCHEMBL9417452 0.74 KDM4E (0.47) MAPTALDH1A1TSHRMAPK1ACE2
SCHEMBL11766135 0.74 ALDH1A1 (0.36) MAPTALDH1A1TSHRMAPK1ADRB2
SCHEMBL11516863 0.74 ALDH1A1 (0.45) MAPTALDH1A1TSHRMAPK1ACE2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0926178-B1 Method to reduce gel formation in PET resin ARTEVA TECH SARL (CH) 2004-05-06 EP claimed
EP-0926178-A1 Method to reduce gel formation in PET resin HNA Holdings, Inc. (US) 1999-06-30 EP claimed
EP-0926179-A2 Method to reduce regenerated acetaldehyde in polyester resins HNA Holdings, Inc. (US) 1999-06-30 EP claimed
US-5874515-A CATALYTIC ESTER INTERCHANGE HOECHST CELANESE CORPORATION (US) 1999-02-23 US claimed
US-5874517-A ADDITION OF PRIMARY PHENOLIC AND SECONDARY PHOSPHONITE ANTIOXIDANTS EITHER PRIOR TO OR AFTER THE POLYETHYLENE TEREPHTHALATE POLYCONDENSATION REACTION IN ORDER TO REDUCE THE AMOUNT OF REGENERATED ACETALDEHYDE PRODUCED HOECHST CELANESE CORPORATION (US) 1999-02-23 US claimed