SCHEMBL29934338

SCHEMBL29934338

OC1c2ccccc2OC(O)(c2ccccc2)C1(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KCNE1 P15382 1/20 0.32
KCNQ1 P51787 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
OPRD1 P41143 1/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2C9 P11712 2/20 0.31
MAPK1 P28482 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL6677120 1.00 MAOA (0.37) MAOAMAOBKCNE1KCNQ1MEN1
SCHEMBL28700213 0.89 MAOA (0.34) MAOAMAOBKCNE1KCNQ1MEN1
SCHEMBL5044777 0.83 MAOA (0.37) MAOAMAOBKCNE1KCNQ1MEN1
SCHEMBL27969569 0.80 CYP2C19 (0.35) MAOAMAOBKCNE1KCNQ1MEN1
SCHEMBL28148368 0.80
SCHEMBL22716169 0.78 MEN1 (0.35) MAOAMAOBMEN1KMT2ANPC1
SCHEMBL5170577 0.76 GUSB (0.38) MAOAMAOBMEN1KMT2AALOX15
SCHEMBL28653831 0.73 KCNE1 (0.36) MAOAMAOBKCNE1KCNQ1MEN1
SCHEMBL29249349 0.73 CHRNB2 (0.36) MAOAMAOBKCNE1KCNQ1MEN1
SCHEMBL2045223 0.70 HSP90AA1 (0.40) MAOAMAOBKCNE1KCNQ1MEN1

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-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 US disclosed