SCHEMBL8868619

SCHEMBL8868619

O=C(Nc1ccc(CCO)cc1)N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.66
SMN1; SMN2 Q16637 5/20 0.64
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
TP53 P04637 1/20 0.59
ESR2 Q92731 1/20 0.59
BLM P54132 1/20 0.59
MLYCD O95822 1/20 0.57
ALDH1A1 P00352 2/20 0.56
PIK3CA P42336 1/20 0.55
MTOR P42345 1/20 0.55
PIK3CG P48736 1/20 0.55
TSHR P16473 1/20 0.54

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
SCHEMBL8868600 0.88 GAA (0.66) GAASMN1; SMN2CYP2C9CYP2C19MAPT
SCHEMBL12793488 0.86 GAA (0.71) GAASMN1; SMN2CYP2C9CYP2C19MAPT
SCHEMBL27477669 0.85 GAA (0.69) GAASMN1; SMN2CYP2C9CYP2C19MAPT
SCHEMBL8867622 0.85 RAB9A (0.70) GAASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL9466324 0.81 RAB9A (0.63) SMN1; SMN2MAPTKMT2AMEN1RAB9A
SCHEMBL12793791 0.80 GAA (0.62) GAASMN1; SMN2CYP2C9CYP2C19MAPT
SCHEMBL8867326 0.80 SMN1; SMN2 (0.61) SMN1; SMN2MAPTKMT2AMEN1RAB9A
SCHEMBL25681592 0.80 GAA (1.00) GAASMN1; SMN2CYP2C9CYP2C19MAPT
SCHEMBL19392292 0.79 SMN1; SMN2 (0.63) GAASMN1; SMN2CYP2C9CYP2C19MAPT
SCHEMBL10594359 0.78 GAA (0.73) GAASMN1; SMN2CYP2C9CYP2C19MAPT

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-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed