SCHEMBL3954809

SCHEMBL3954809

CO[C@H](c1ccc(C(F)(F)F)cc1C=O)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.37
EPHX1 P07099 4/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CSNK1D P48730 1/20 0.33
EPHX2 P34913 1/20 0.33
PSMB11 A5LHX3 1/20 0.32
PSMA7 O14818 1/20 0.32
PSMB1 P20618 1/20 0.32
PSMA1 P25786 1/20 0.32
PSMA2 P25787 1/20 0.32
PSMA3 P25788 1/20 0.32
PSMA4 P25789 1/20 0.32
PSMB8 P28062 1/20 0.32
PSMB9 P28065 1/20 0.32
PSMA5 P28066 1/20 0.32
PSMB4 P28070 1/20 0.32
PSMB6 P28072 1/20 0.32
PSMB5 P28074 1/20 0.32

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
SCHEMBL1600804 1.00 PDE2A (0.37) PDE2AEPHX1POLBRAB9APTGDR2
SCHEMBL13905314 0.83 PDE2A (0.41) PDE2AEPHX1PTGDR2EPHX2HTR2A
SCHEMBL1599606 0.78 PDE2A (0.40) PDE2AEPHX1PTGDR2EPHX2MEN1
SCHEMBL1601400 0.78 PDE2A (0.37) PDE2AEPHX1PTGDR2PSMB11PSMA7
SCHEMBL3949994 0.78 PDE2A (0.37) PDE2AEPHX1PTGDR2PSMB11PSMA7
SCHEMBL1601404 0.78 PDE2A (0.37) PDE2AEPHX1PTGDR2PSMB11PSMA7
SCHEMBL1600383 0.78 PDE2A (0.40) PDE2AEPHX1PTGDR2EPHX2MEN1
SCHEMBL1599494 0.76 PDE2A (0.38) PDE2AEPHX1PTGDR2PSMB11PSMA7
SCHEMBL1599496 0.76 PDE2A (0.38) PDE2AEPHX1PTGDR2PSMB11PSMA7
SCHEMBL1600907 0.76 PDE2A (0.41) PDE2AEPHX1PTGDR2PSMB11PSMA7

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-2009027785-A2 1, 3-OXAZOLE DERIVATIVES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2009-03-05 WO disclosed