SCHEMBL9853277

SCHEMBL9853277

OCCCCCCCCCCCOCc1ccc2c3cccc4cccc(c5cccc1c52)c43

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 6/20 0.50
GBA1 P04062 5/20 0.50
UGCG Q16739 4/20 0.50
CNR2 P34972 3/20 0.38
CNR1 P21554 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.32
BRD4 O60885 1/20 0.32
MITF O75030 1/20 0.32

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
SCHEMBL9815008 0.90 GBA2 (0.60) GBA2GBA1UGCGCNR2CNR1
SCHEMBL9853333 0.86 GBA2 (0.45) GBA2GBA1UGCGMEN1KMT2A
SCHEMBL10436525 0.86 GBA1 (0.45) GBA2GBA1UGCGCNR2CNR1
SCHEMBL1007564 0.82 CNR2 (0.47) GBA2GBA1UGCGCNR2CNR1
SCHEMBL27523973 0.80 MEN1 (0.50) GBA2GBA1UGCGCNR2MEN1
SCHEMBL9853348 0.80 GBA1 (0.35) GBA2GBA1UGCGCNR2CNR1
SCHEMBL9853338 0.79 HTR1B (0.40) GBA2GBA1UGCGMEN1KMT2A
SCHEMBL4239401 0.75 GBA2 (0.54) GBA2GBA1UGCGMEN1KMT2A
SCHEMBL13951801 0.75 GBA1 (0.54) GBA2GBA1UGCGCNR2CNR1
SCHEMBL4236889 0.75 GBA2 (0.54) GBA2GBA1UGCGMEN1KMT2A

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-0417535-A2 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-03-20 EP disclosed