SCHEMBL5455475

SCHEMBL5455475

C=C(C)C(=O)OCCN(CC)CC.C=CCOC(=O)C(=C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.50
THRB P10828 1/20 0.45
TSHR P16473 5/20 0.44
LMNA P02545 3/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAOA P21397 1/20 0.37
HTR3A P46098 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 2/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM2 P08172 3/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
SCN1A P35498 1/20 0.35

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
SCHEMBL28273630 0.88 THRB (0.55) MEN1POLBKMT2ATHRBTSHR
SCHEMBL14874 0.88 THRB (0.55) MEN1POLBKMT2ATHRBTSHR
SCHEMBL719482 0.88 THRB (0.41) MEN1POLBKMT2ATHRBTSHR
Hydrochloric Acid SCHEMBL2847352 0.87 THRB (0.53) MEN1POLBKMT2ATHRBTSHR
SCHEMBL9800939 0.87 THRB (0.53) MEN1POLBKMT2ATHRBTSHR
SCHEMBL22684899 0.87 THRB (0.53) MEN1POLBKMT2ATHRBTSHR
Acrylic Acid SCHEMBL7775514 0.86 THRB (0.46) MEN1POLBKMT2ATHRBTSHR
Vinyl Ether SCHEMBL28066201 0.86 THRB (0.46) MEN1POLBKMT2ATHRBTSHR
Acetic Acid SCHEMBL10336380 0.85 THRB (0.52) MEN1POLBKMT2ATHRBTSHR
Chloromethane SCHEMBL1128072 0.85 THRB (0.52) MEN1POLBKMT2ATHRBTSHR

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
US-20070155636-A1 Lubricating oil additive and lubricating oil composition containing the same ADEKA CORPORATION (JP) 2007-07-05 US disclosed
EP-1717298-A1 LUBRICATING OIL ADDITIVE AND LUBRICATING OIL COMPOSITION CONTAINING SAME Adeka Corporation (JP) 2006-11-02 EP disclosed