SCHEMBL7138593

SCHEMBL7138593

COC=C(C(=O)O)c1ccccc1C=CC=Cc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.41
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CES2 O00748 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NFKB1 P19838 1/20 0.36
POLQ O75417 1/20 0.35
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
CFTR P13569 1/20 0.33

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
SCHEMBL7138590 1.00 MAOB (0.41) MAOBLMNAMAPTGAAATM
SCHEMBL7136429 0.91 MAOB (0.41) MAOBLMNAMAPTGAAATM
SCHEMBL7136425 0.91 MAOB (0.41) MAOBLMNAMAPTGAAATM
SCHEMBL7140184 0.89 MAOB (0.43) MAOBLMNAMAPTGAAATM
SCHEMBL7140189 0.89 MAOB (0.43) MAOBLMNAMAPTGAAATM
SCHEMBL7136717 0.89 MAOB (0.51) MAOBLMNAMAPTGAAATM
SCHEMBL7135385 0.85 TRPA1 (0.42) MAOBCYP1A1CYP1B1
SCHEMBL7135382 0.85 TRPA1 (0.42) MAOBCYP1A1CYP1B1
SCHEMBL7144373 0.85 MAOB (0.44) MAOBLMNAMAPTNPSR1MEN1
SCHEMBL7144375 0.85 MAOB (0.44) MAOBLMNAMAPTNPSR1MEN1

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
EP-0996439-B1 BETA-ALKOXYACRYLATES AGAINST MALARIA HOFFMANN LA ROCHE (CH) 2003-01-08 EP claimed