SCHEMBL9856981

SCHEMBL9856981

C=C(C)C(=O)OCCCn1ccnc1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
POLB P06746 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
TSHR P16473 3/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FDPS P14324 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL9856942 0.96 ALDH1A1 (0.53) ALDH1A1POLBKMT2AHTTKDM4E
SCHEMBL8138464 0.91 ALDH1A1 (0.46) ALDH1A1POLBKMT2AHTTKDM4E
SCHEMBL13587959 0.77 ALDH1A1 (0.50) ALDH1A1POLBKMT2AHTTKDM4E
SCHEMBL24107635 0.76 CA12 (0.53) ALDH1A1POLBKMT2AHTTKDM4E
SCHEMBL17916298 0.75 ALDH1A1 (0.49) ALDH1A1POLBKMT2AHTTKDM4E
SCHEMBL18510088 0.75 ALDH1A1 (0.49) ALDH1A1POLBKMT2AHTTKDM4E
SCHEMBL23657179 0.75 ALDH1A1 (0.65) ALDH1A1POLBKMT2AHTTKDM4E
SCHEMBL25009512 0.74 ALDH1A1 (0.80) ALDH1A1POLBKMT2AHTTKDM4E
SCHEMBL27090339 0.74 ALDH1A1 (0.80) ALDH1A1POLBKMT2AHTTKDM4E
SCHEMBL18366017 0.74 ALDH1A1 (0.58) ALDH1A1POLBKMT2AHTTKDM4E

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-0407800-A2 Analysis method for determining substances from biological fluids MILES INC. (US) 1991-01-16 EP disclosed