SCHEMBL9607474

SCHEMBL9607474

CCC(O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.42
LMNA P02545 1/20 0.41
SCN9A Q15858 5/20 0.39
ACACB O00763 6/20 0.39
LIPE Q05469 1/20 0.39
PDE3A Q14432 1/20 0.38
PDE10A Q9Y233 1/20 0.38
ACACA Q13085 4/20 0.38
ALDH1A1 P00352 1/20 0.38
SCN10A Q9Y5Y9 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
SCHEMBL22585573 0.86 LMNA (0.38) PDE2ALMNAPDE3APDE10AALDH1A1
SCHEMBL9607482 0.85 MEN1 (0.51) ACACBACACAALDH1A1
SCHEMBL9607151 0.82 FAAH (0.45) PDE2ASCN9ASCN10A
SCHEMBL4542016 0.81 PDE2A (0.54) PDE2ALMNAALDH1A1
SCHEMBL22585575 0.76 L3MBTL1 (0.50) PDE2ALMNASCN9A
SCHEMBL7989179 0.75 PDE4A (0.37) LMNASCN9ALIPESCN10A
SCHEMBL9607167 0.75 PDE2A (0.48) PDE2ALMNAALDH1A1
SCHEMBL2269736 0.74 LMNA (0.46) LMNASCN9ALIPE
SCHEMBL9607063 0.74 LMNA (0.53) LMNALIPE
SCHEMBL16762977 0.74 LMNA (0.42) LMNAALDH1A1

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
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed