SCHEMBL9853313

SCHEMBL9853313

OCCCCCCCCCCCON=CCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.42
UGCG Q16739 2/20 0.42
GBA2 Q9HCG7 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.31
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
CYP2D6 P10635 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
SCHEMBL9853348 0.91 GBA1 (0.35) GBA1UGCGGBA2KMT2AMEN1
SCHEMBL10436376 0.87 MEN1 (0.38) GBA1UGCGGBA2KMT2AMEN1
SCHEMBL9853323 0.81 KMT2A (0.38) GBA1UGCGGBA2KMT2AMEN1
SCHEMBL9815008 0.80 GBA2 (0.60) GBA1UGCGGBA2KMT2AMEN1
SCHEMBL10436366 0.79 CNR1 (0.34) GBA1UGCGGBA2TSHRTDP1
SCHEMBL2560886 0.74 KMT2A (0.64) GBA1UGCGGBA2KMT2AMEN1
SCHEMBL8979416 0.74 KMT2A (0.64) GBA1UGCGGBA2KMT2AMEN1
SCHEMBL9815036 0.74 KMT2A (0.64) GBA1UGCGGBA2KMT2AMEN1
SCHEMBL10770344 0.74 KMT2A (0.64) GBA1UGCGGBA2KMT2AMEN1
SCHEMBL15511217 0.74 KMT2A (0.64) GBA1UGCGGBA2KMT2AMEN1

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