SCHEMBL9853348

SCHEMBL9853348

OCCCCCCCCCCCON=CCc1ccc2c3cccc4cccc(c5cccc1c52)c43

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.35
UGCG Q16739 2/20 0.35
GBA2 Q9HCG7 2/20 0.35
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9853313 0.91 GBA1 (0.42) GBA1UGCGGBA2CNR2CNR1
SCHEMBL10436366 0.88 CNR1 (0.34) GBA1UGCGGBA2CNR2CNR1
SCHEMBL9853320 0.82 HTR1B (0.36) ALDH1A1HPGDHSD17B10
SCHEMBL9853277 0.80 GBA2 (0.50) GBA1UGCGGBA2CNR2CNR1
SCHEMBL10436376 0.79 MEN1 (0.38) GBA1UGCGGBA2CNR2CNR1
SCHEMBL27523973 0.75 MEN1 (0.50) GBA1UGCGGBA2CNR2MEN1
SCHEMBL9853323 0.72 KMT2A (0.38) GBA1UGCGGBA2MEN1KMT2A
SCHEMBL9815008 0.70 GBA2 (0.60) GBA1UGCGGBA2CNR2CNR1
SCHEMBL22534122 0.70 MEN1 (0.49) CNR2CNR1MEN1KMT2AKDM4E
SCHEMBL31302320 0.69 CYP1A2 (0.44) MEN1KMT2AKDM4EALDH1A1GAA

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