SCHEMBL9736244

SCHEMBL9736244

Fc1[c]ccc(F)c1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
MPL P40238 1/20 0.41
PDE2A O00408 3/20 0.37
APP P05067 1/20 0.37
FEN1 P39748 5/20 0.37
ALOX5AP P20292 4/20 0.37
HSD11B1 P28845 1/20 0.36
CYP11B2 P19099 4/20 0.35
CYP11B1 P15538 3/20 0.35
GPR3 P46089 1/20 0.33
KIF11 P52732 1/20 0.33
GRM2 Q14416 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
SCHEMBL432706 0.79 IDO1 (0.35) IDO1
SCHEMBL433574 0.76 KMO (0.35) HSD11B1GRM2
SCHEMBL15391110 0.75 MAOB (0.44) IDO1
SCHEMBL6039958 0.74 MPL (0.47) IDO1MPLPDE2AAPPFEN1
SCHEMBL1275705 0.71 IDO1 (0.42) IDO1MPLPDE2AAPPFEN1
SCHEMBL435178 0.71 NOTUM (0.33) IDO1MPL
SCHEMBL7175371 0.69
SCHEMBL6781593 0.68 PTPN1 (0.37)
SCHEMBL435121 0.68 AHR (0.39) HSD11B1
SCHEMBL17514551 0.68 NISCH (0.37) HSD11B1GRM2

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
US-5085686-A Plant growth regulator BASF AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed