SCHEMBL7181440

SCHEMBL7181440

CCCCCCCCCCCCOCCOC(C)OCCO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
THRB P10828 1/20 0.68
MAPT P10636 1/20 0.68
TSHR P16473 1/20 0.52
USP2 O75604 2/20 0.46
SPHK1 Q9NYA1 1/20 0.41
CES2 O00748 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
LPAR1 Q92633 4/20 0.38
LPAR3 Q9UBY5 4/20 0.38
LPAR2 Q9HBW0 1/20 0.38

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
SCHEMBL265974 0.93 MEN1 (0.68) HTTMEN1KMT2ATHRBMAPT
SCHEMBL20496746 0.93 MEN1 (0.68) HTTMEN1KMT2ATHRBMAPT
SCHEMBL2721224 0.92 TSHR (0.61) HTTMEN1KMT2ATHRBMAPT
SCHEMBL4377551 0.88 MEN1 (0.54) HTTMEN1KMT2ATHRBMAPT
Ethylene Glycol SCHEMBL27889048 0.86 MEN1 (0.52) HTTMEN1KMT2ATHRBMAPT
SCHEMBL2721221 0.85 TSHR (0.61) HTTMEN1KMT2ATHRBMAPT
SCHEMBL17206872 0.84 HTT (0.61) HTTMEN1KMT2ATHRBMAPT
Isopropyl Alcohol SCHEMBL10959119 0.82 MEN1 (0.83) HTTMEN1KMT2ATHRBMAPT
Triethylene Glycol SCHEMBL23356745 0.82 MEN1 (1.00) HTTMEN1KMT2ATHRBMAPT
Triethylene Glycol SCHEMBL23356768 0.82 MEN1 (1.00) HTTMEN1KMT2ATHRBMAPT

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-0902023-B1 Process for preparing condensation product of hydroxy-substituted aromatic compounds and glyoxylic reactants LUBRIZOL CORP (US) 2003-08-13 EP disclosed
EP-0832874-B1 Process for preparing bis-substituted phenolic amides in the presence of an alcohol as solvent LUBRIZOL CORP (US) 2001-07-18 EP disclosed
US-6001781-A THE CHEMICAL CONDENSATES USEFUL AS FUEL AND LUBRICANT OIL ADDITIVES THE LUBRIZOL CORPORATION (US) 1999-12-14 US disclosed
EP-0902023-A2 Process for preparing condensation product of hydroxy-substituted aromatic compounds and glyoxylic reactants The Lubrizol Corporation (US) 1999-03-17 EP disclosed
EP-0832874-A1 Process for preparing bis-substituted phenolic amides in the presence of an alcohol as solvent The Lubrizol Corporation (US) 1998-04-01 EP disclosed
US-5629448-A POLYETHER SOLVENT THE LUBRIZOL CORPORATION (US) 1997-05-13 US disclosed