SCHEMBL8348018

SCHEMBL8348018

CC(C)(C)OC(=O)CNCCOc1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
TSHR P16473 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HPGD P15428 4/20 0.51
RAB9A P51151 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
NPC1 O15118 2/20 0.51
CYP3A4 P08684 1/20 0.49
S1PR4 O95977 1/20 0.48
NLRP1 Q9C000 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL3453194 0.82 IDO1 (0.60) MAPTTSHRTDP1SMN1; SMN2HPGD
SCHEMBL5695090 0.81 TDP1 (0.65) MAPTTSHRTDP1SMN1; SMN2HPGD
SCHEMBL14660487 0.81 TP53 (0.57) MAPTTSHRTDP1SMN1; SMN2HPGD
SCHEMBL5736332 0.80 TDP1 (0.55) MAPTTSHRTDP1SMN1; SMN2HPGD
SCHEMBL28694748 0.80 TDP1 (0.62) MAPTTSHRTDP1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL5000643 0.79 TDP1 (0.54) MAPTTSHRTDP1SMN1; SMN2HPGD
SCHEMBL14209682 0.76 MAPT (0.62) MAPTTSHRTDP1SMN1; SMN2HPGD
SCHEMBL6273809 0.75 MAPT (0.52) MAPTTSHRTDP1SMN1; SMN2HPGD
SCHEMBL11420952 0.74 RAB9A (0.62) MAPTTSHRTDP1SMN1; SMN2HPGD
SCHEMBL2421402 0.74 IDO1 (0.51) MAPTTDP1SMN1; SMN2MAPK1ALDH1A1

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
WO-2004016583-A1 SUBSTITUTED GLYCINE DERIVATIVES FOR USE AS MEDICAMENTS PFIZER LIMITED (GB) 2004-02-26 WO disclosed