SCHEMBL6037217

SCHEMBL6037217

C=C(C)C(=O)OCCN(C)C.C=C(C)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CHRM1 P11229 1/20 0.50
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
EGFR P00533 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
HRH1 P35367 1/20 0.40

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
Benzylamine SCHEMBL27783612 0.87 CHRM1 (0.49) ALDH1A1CHRM1SMN1; SMN2LMNATDP1
(Chloromethyl)Benzene SCHEMBL128111 0.87 CHRM1 (0.49) ALDH1A1CHRM1SMN1; SMN2LMNATDP1
Hydrochloric Acid SCHEMBL28147981 0.87 CHRM1 (0.49) ALDH1A1CHRM1SMN1; SMN2LMNATDP1
SCHEMBL6569684 0.87 CHRM1 (0.40) ALDH1A1CHRM1MAPTHPGDEGFR
SCHEMBL13234390 0.86 ALDH1A1 (0.66) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL13234392 0.86 ALDH1A1 (0.66) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL13234425 0.86 ALDH1A1 (0.66) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL13234389 0.86 ALDH1A1 (0.66) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL13234388 0.86 ALDH1A1 (0.66) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL13234404 0.86 ALDH1A1 (0.66) ALDH1A1MAPTHPGDSMN1; SMN2LMNA

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
US-20060124028-A1 Inkjet ink compositions comprising carbon nanotubes E. I. DU PONT DE NEMOURS AND COMPANY 2006-06-15 US disclosed
EP-0851011-B1 Ink jet inks containing emulsion polymer additives stabilized with structured polymers DU PONT (US) 2002-05-22 EP disclosed
US-6020400-A BLOCK AND GRAFT POLYMER BLENDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-02-01 US disclosed
EP-0851011-A2 Ink jet inks containing emulsion polymer additives stabilized with structured polymers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-07-01 EP disclosed
US-5772741-A Aqueous ink jet ink compositions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-30 US disclosed
EP-0808882-A2 Aqueous ink jet inks composition E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-26 EP disclosed