SCHEMBL6926076

SCHEMBL6926076

Nc1scc(-c2ccc(C(F)(F)F)cc2F)c1CO

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.51
FEN1 P39748 6/20 0.40
ALOX5AP P20292 5/20 0.40
IDO1 P14902 1/20 0.39
APP P05067 1/20 0.38
CYP11B2 P19099 5/20 0.37
CYP11B1 P15538 4/20 0.37
PRKCZ Q05513 1/20 0.36
PDE2A O00408 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KIF11 P52732 1/20 0.34

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
SCHEMBL6926065 0.77 MPL (0.50) MPLFEN1ALOX5APAPPPRKCZ
SCHEMBL20783008 0.69 FFAR4 (0.47) MPL
SCHEMBL474311 0.68 MPL (1.00) MPLFEN1ALOX5AP
SCHEMBL28315996 0.66 HSD11B1 (0.50) MPLFEN1ALOX5APIDO1CYP11B2
SCHEMBL31064585 0.66 PDE2A (0.39) IDO1APPPDE2AKIF11
SCHEMBL28315994 0.65 MPL (0.49) MPLFEN1ALOX5APIDO1APP
SCHEMBL857195 0.65 IDO1 (0.58) IDO1APPPDE2A
SCHEMBL29738028 0.65 IDO1 (0.58) IDO1APPPDE2A
SCHEMBL5861822 0.64 ESR1 (0.43) MPLFEN1ALOX5APIDO1APP
SCHEMBL1888623 0.64 FEN1 (0.46) MPLFEN1ALOX5APIDO1APP

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-2011109551-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-09-09 WO disclosed