SCHEMBL23905186

SCHEMBL23905186

Cc1cc2c(c(C)c1OCc1ccc(F)cc1)OCCC2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.55
GRM5 P41594 4/20 0.55
MAOA P21397 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPD P32754 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL23905184 0.86 MAOB (0.44) MAOBGRM5MAOANPC1RAB9A
SCHEMBL23905906 0.81 MAOB (0.57) MAOBGRM5MAOANPC1RAB9A
SCHEMBL23905954 0.81 MAOB (0.43) MAOBGRM5MAOANPC1RAB9A
SCHEMBL23906118 0.80 MAOB (0.43) MAOBGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL23905966 0.80 MAOB (0.42) MAOBGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL26160537 0.79 MAOB (0.43) MAOBGRM5HPD
SCHEMBL23905994 0.76 MAOB (0.38) MAOBGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL23905188 0.73 GRM5 (0.57) MAOBGRM5MAOANPC1RAB9A
SCHEMBL23882717 0.73 MAOB (0.37) MAOBGRM5
SCHEMBL30251140 0.73 MAOB (0.37) MAOBGRM5

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-2021198283-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2021-10-07 WO disclosed