SCHEMBL781790

SCHEMBL781790

NC(=O)C(=O)NCCNCCO

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TGFBR1 P36897 1/20 0.33
CA3 P07451 1/20 0.33
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL110028 0.85
SCHEMBL31264254 0.83 GAA (0.45) GAAMEN1USP2ALDH1A1KMT2A
SCHEMBL30816421 0.81 ALDH1A1 (0.36) MEN1USP2ALDH1A1MAPTKMT2A
Diethanolamine SCHEMBL10469515 0.80 MEN1 (0.36) MEN1USP2ALDH1A1MAPTKMT2A
SCHEMBL9297284 0.77 KDM4E (0.37) GAAMEN1USP2KMT2AKDM4E
Phosphoric Acid SCHEMBL27453472 0.77 ALDH1A1 (0.38) GAAMEN1USP2ALDH1A1MAPT
Diethanolamine SCHEMBL8571462 0.77 ALDH1A1 (0.40) MEN1USP2ALDH1A1MAPTKMT2A
SCHEMBL4697573 0.76 GAA (0.47) GAATGFBR1CA3CA5ACA5B
Diethanolamine SCHEMBL9588654 0.75 ACHE (0.44) MEN1USP2ALDH1A1MAPTKMT2A
SCHEMBL28418917 0.74 GAA (0.46) GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286267-A Antideposit agents TEXACO INC. (US) 1994-02-15 US claimed
EP-2272893-B1 Polymeric dispersants and non-aqueous dispersions AGFA GRAPHICS NV (BE) 2014-11-05 EP disclosed
US-8809419-B2 Polymeric dispersants and non-aqueous dispersions AGFA GRAPHICS NV (BE) 2014-08-19 US disclosed
US-20120071593-A1 POLYMERIC DISPERSANTS AND NON-AQUEOUS DISPERSIONS AGFA GRAPHICS NV (BE) 2012-03-22 US disclosed
EP-2272893-A1 Polymeric dispersants and non-aqueous dispersions Agfa Graphics N.V. (BE) 2011-01-12 EP disclosed
WO-2010145950-A1 POLYMERIC DISPERSANTS AND NON-AQUEOUS DISPERSIONS AGFA GRAPHICS NV (BE) 2010-12-23 WO disclosed
US-5286267-A Antideposit agents TEXACO INC. (US) 1994-02-15 US disclosed
US-5286267-A Antideposit agents TEXACO INC. (US) 1994-02-15 US disclosed
US-5286267-A Antideposit agents TEXACO INC. (US) 1994-02-15 US disclosed