SCHEMBL8026320

SCHEMBL8026320

CCOC(=O)C(O)N1CCCN(C(O)C(=O)OCC)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
LMNA P02545 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7603792 0.81 THRB (0.39) LMNACA12CA1CA2CA3
SCHEMBL15415598 0.73 ALDH1A1 (0.42) CYP2D6LMNAALDH1A1KMT2AMAPT
SCHEMBL11556911 0.70 LMNA (0.53) CYP2D6LMNACA12CA1CA2
SCHEMBL1878246 0.69 LMNA (0.69) CYP2D6LMNACA12CA1CA2
SCHEMBL21313417 0.69 LMNA (0.69) CYP2D6LMNACA12CA1CA2
SCHEMBL8353244 0.69 LMNA (0.69) CYP2D6LMNACA12CA1CA2
SCHEMBL28238942 0.69 CYP3A4 (0.36) CYP2D6LMNAALDH1A1KMT2AMAPT
SCHEMBL7342413 0.68 LMNA (0.50) CYP2D6LMNACA12CA1CA2
SCHEMBL11024710 0.68 LMNA (0.46) CYP2D6LMNACA12CA1CA2
SCHEMBL18874588 0.68 LMNA (0.50) CYP2D6LMNACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976738-A2 Propylene ureas and the process for their preparation DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-02-02 EP disclosed