SCHEMBL9633807

SCHEMBL9633807

CC(=O)COc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
LTA4H P09960 1/20 0.49
MAPT P10636 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
FKBP1A P62942 1/20 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
SCHEMBL5107568 0.94 MAOB (0.54) MAOBMAPTNPC1RAB9AGAA
SCHEMBL2955123 0.84 HPGD (0.50) MAPTRAB9AGAAALDH1A1SMN1; SMN2
SCHEMBL8225239 0.83 SMN1; SMN2 (0.67) MAOBLTA4HRAB9AGAAHTT
SCHEMBL17364454 0.80 PTGS2 (0.54) MAPTGAALMNAKMT2AMEN1
SCHEMBL17479424 0.80 NPSR1 (0.60) MAPTGAAKMT2AMEN1ALDH1A1
SCHEMBL9269526 0.78 POLB (0.56) MAOBLTA4HMAPTNPC1RAB9A
SCHEMBL4646407 0.76 MAPT (0.51) MAOBMAPTNPC1RAB9AGAA
SCHEMBL12451860 0.76 MAOB (0.49) MAOBMAPTNPC1RAB9AGAA
SCHEMBL10858118 0.76 LMNA (0.58) MAPTNPC1RAB9AGAALMNA
SCHEMBL11177157 0.76 NPC1 (0.54) MAOBMAPTNPC1RAB9AGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395578-A2 Acylated carbamic acid esters CIBA-GEIGY AG (CH) 1990-10-31 EP claimed
US-5114968-A Ovicides, pesticides CIBA-GEIGY CORPORATION (US) 1992-05-19 US disclosed
EP-0395578-A2 Acylated carbamic acid esters CIBA-GEIGY AG (CH) 1990-10-31 EP disclosed