SCHEMBL4805409

SCHEMBL4805409

COc1cc(N)c(Cl)cc1C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
CYP3A4 P08684 2/20 0.53
HTR4 Q13639 2/20 0.53
GLA P06280 1/20 0.53
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP2D6 P10635 1/20 0.51
HTR3A P46098 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL28749742 0.79 HTR4 (0.65) GAACYP3A4HTR4GLAMEN1
SCHEMBL4733762 0.78 MAPT (0.49) MEN1ALDH1A1KMT2A
SCHEMBL384749 0.78 GAA (1.00) GAACYP3A4HTR4GLAALDH1A1
Hydrochloric Acid SCHEMBL7405359 0.77 GAA (0.97) GAACYP3A4HTR4GLAALDH1A1
SCHEMBL8292456 0.77 GAA (0.79) GAACYP3A4HTR4GLAMEN1
SCHEMBL9379986 0.75 GAA (0.74) GAACYP3A4HTR4GLAMEN1
SCHEMBL7280230 0.74 GAA (0.73) GAACYP3A4HTR4GLAALDH1A1
SCHEMBL7351910 0.74 GAA (0.73) GAACYP3A4HTR4GLAALDH1A1
SCHEMBL725809 0.74 GAA (0.73) GAACYP3A4HTR4GLAALDH1A1
SCHEMBL99019 0.74 GAA (0.73) GAACYP3A4HTR4GLAALDH1A1

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
US-7427260-B2 Efficient methods for solid phase synthesis using trityl chloride resins MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2008-09-23 US disclosed
US-20040096904-A1 Efficient methods for solid phase synthesis using trityl chloride resins MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2004-05-20 US disclosed
WO-2002079278-A1 EFFICIENT METHODS FOR SOLID PHASE SYNTHESIS USING TRITYL CHLORIDE RESINS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2002-10-10 WO disclosed