SCHEMBL4601057

SCHEMBL4601057

COC(=O)c1ccc(CCCCO)cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 4/20 0.60
CYP4F2 P78329 3/20 0.60
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
PDK2 Q15119 1/20 0.54
PDK4 Q16654 1/20 0.54
PPARA Q07869 2/20 0.52
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
BCHE P06276 1/20 0.46
MYC P01106 1/20 0.46
IGF1R P08069 2/20 0.45
ALOX15 P16050 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
EGFR P00533 1/20 0.43

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
SCHEMBL31586510 0.87 PPARA (0.71) CA12CA1CA2CA7CA9
SCHEMBL20503308 0.87 PPARA (0.71) CA12CA1CA2CA7CA9
SCHEMBL20772047 0.84 CYP4A11 (0.59) CYP4A11CYP4F2PPARAGAAALOX15
SCHEMBL22907008 0.83 CYP4A11 (0.63) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL8303432 0.83 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL20772389 0.82 CYP4A11 (0.57) CYP4A11CYP4F2PPARAGAABCHE
SCHEMBL1100762 0.82 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL8002537 0.81 GAA (0.63) CA12CA1CA2CA7CA9
SCHEMBL27658218 0.81 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL17201140 0.80 CA12 (0.65) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915341-A2 COMPOUNDS AND COMPOSITIONS AS TPO MIMETICS IRM, LLC (BM) 2008-04-30 EP disclosed
WO-2007022269-A2 COMPOUNDS AND COMPOSITIONS AS TPO MIMETICS IRM LLC (BM) 2007-02-22 WO disclosed