SCHEMBL9629064

SCHEMBL9629064

CN(C)CCCOC(=O)c1ccc(C(=O)OCCCN(C)C)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.84
ALDH1A1 P00352 4/20 0.77
PHLPP2 Q6ZVD8 1/20 0.67
MAPT P10636 2/20 0.59
LMNA P02545 5/20 0.58
CYP1A2 P05177 4/20 0.58
CYP2D6 P10635 3/20 0.58
DRD3 P35462 2/20 0.58
SCN1A P35498 2/20 0.58
SLC6A3 Q01959 2/20 0.58
KCNH2 Q12809 2/20 0.58
SCN2A Q99250 2/20 0.58
SCN3A Q9NY46 2/20 0.58
CYP3A4 P08684 2/20 0.58
CHRM2 P08172 1/20 0.58
HTR1A P08908 1/20 0.58
MAPK1 P28482 3/20 0.57
MAOA P21397 2/20 0.57
HRH3 Q9Y5N1 2/20 0.57
CNR1 P21554 1/20 0.57

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
SCHEMBL14924442 0.93 GAA (0.74) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL5452825 0.92 GAA (0.72) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL11641497 0.92 PHLPP2 (0.82) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL11287086 0.91 GAA (0.71) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL11358749 0.89 GAA (0.68) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL14924009 0.89 GAA (0.73) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL8963488 0.88 PHLPP2 (0.83) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL28034412 0.88 GAA (0.68) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL14218445 0.87 PHLPP2 (0.79) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL14218218 0.87 GAA (0.66) GAAALDH1A1PHLPP2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0145654-B2 METHOD OF LINING THE INSIDES OF PIPES OR PARTS OF PIPES CIBA-GEIGY AG (CH) 1992-05-13 EP disclosed
EP-0145654-A1 Method of lining the insides of pipes or parts of pipes CIBA-GEIGY AG (CH) 1985-06-19 EP disclosed
US-4352913-A EPOXY RESIN CURING AGENTS CIBA-GEIGY CORPORATION (US) 1982-10-05 US disclosed