SCHEMBL9853333

SCHEMBL9853333

NCCCCCCCCCCCOCc1ccc2c3cccc4cccc(c5cccc1c52)c43

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 4/20 0.45
GBA1 P04062 3/20 0.45
UGCG Q16739 2/20 0.45
HTR1B P28222 2/20 0.39
SSTR4 P31391 3/20 0.34
SSTR5 P35346 2/20 0.34
SSTR2 P30874 1/20 0.33
SCN1A P35498 2/20 0.33
SCN2A Q99250 2/20 0.33
SCN3A Q9NY46 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL4229167 0.90 GBA2 (0.54) GBA2GBA1UGCGHTR1BSSTR4
SCHEMBL4236889 0.90 GBA2 (0.54) GBA2GBA1UGCGHTR1BSSTR4
SCHEMBL9815003 0.90 GBA2 (0.54) GBA2GBA1UGCGHTR1BSSTR4
SCHEMBL9853338 0.88 HTR1B (0.40) GBA2GBA1UGCGHTR1BALDH1A1
SCHEMBL9853277 0.86 GBA2 (0.50) GBA2GBA1UGCGHTR1BALDH1A1
SCHEMBL10436525 0.86 GBA1 (0.45) GBA2GBA1UGCGHTR1BKDM4E
SCHEMBL9816053 0.77 GBA1 (0.46) GBA2GBA1UGCGHTR1BALDH1A1
SCHEMBL4239401 0.75 GBA2 (0.54) GBA2GBA1UGCGALDH1A1CYP1A2
SCHEMBL9814999 0.75 GBA2 (0.54) GBA2GBA1UGCGALDH1A1CYP1A2
SCHEMBL9815008 0.75 GBA2 (0.60) GBA2GBA1UGCGALDH1A1CYP1A2

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