SCHEMBL6702238

SCHEMBL6702238

NC(CO)(CO)CCCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.65
FFAR1 O14842 1/20 0.64
FFAR4 Q5NUL3 1/20 0.64
NR4A2 P43354 2/20 0.58
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.49
PDGFRA P16234 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR5 Q9H228 1/20 0.48
IDO1 P14902 2/20 0.47
MRGPRX4 Q96LA9 2/20 0.46

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
SCHEMBL9627323 0.85 MAOB (0.70) MAOBFFAR1FFAR4NR4A2MAPT
SCHEMBL23642800 0.84 MAOB (0.68) MAOBFFAR1FFAR4NR4A2MAPT
SCHEMBL31676723 0.84 MAOB (0.68) MAOBFFAR1FFAR4NR4A2MAPT
SCHEMBL3111344 0.81 LTA4H (0.46) MAOBFFAR1FFAR4NR4A2S1PR1
SCHEMBL3115018 0.81 S1PR1 (0.49) MAOBFFAR1FFAR4NR4A2MAPT
SCHEMBL16590219 0.78 FFAR4 (0.48) MAOBFFAR1FFAR4NR4A2MAPT
SCHEMBL16590004 0.77 MAOB (0.49) MAOBFFAR1FFAR4NR4A2MAPT
SCHEMBL3118716 0.77 FFAR1 (0.54) MAOBFFAR1FFAR4S1PR1
SCHEMBL3118958 0.77 S1PR1 (0.45) FFAR1S1PR1S1PR5
SCHEMBL5503037 0.76 S1PR1 (0.42) MAOBFFAR1S1PR1S1PR5

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
JP-2004307439-A AMINODIOL DERIVATIVE, ITS ADDITION SALT AND IMMUNOSUPPRESSANT KYORIN PHARMACEUT CO LTD 2004-11-04 JP disclosed