SCHEMBL5366753

SCHEMBL5366753

CC([C](O)c1ccccc1)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 4/20 0.43
PGR P06401 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
HSP90AA1 P07900 1/20 0.41
RAB9A P51151 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
ATM Q13315 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8059227 0.77 MAPT (0.44) ALDH1A1KDM4EMAPTPGRADRA2A
Metamfepramone SCHEMBL10505245 0.77 PGR (0.63) ALDH1A1KDM4EMAPTPGRADRA2A
Metamfepramone SCHEMBL309430 0.77 PGR (0.63) ALDH1A1KDM4EMAPTPGRADRA2A
Metamfepramone SCHEMBL5172661 0.76 PGR (0.61) ALDH1A1KDM4EMAPTPGRADRA2A
Metamfepramone SCHEMBL22614741 0.76 PGR (0.61) ALDH1A1KDM4EMAPTPGRADRA2A
SCHEMBL7370238 0.74 SMN1; SMN2 (0.43) ALDH1A1MAPTPGRADRA2AADRA2B
SCHEMBL2037726 0.68 PTGS2 (0.46) ALDH1A1KDM4EMAPTADRA2AHTR2A
Benzophenone SCHEMBL27676998 0.68 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTRAB9AKMT2A
Benzoic Acid SCHEMBL1131860 0.68 TSHR (0.61) ALDH1A1KDM4EMAPTPGRADRA2A
SCHEMBL9512907 0.67 HRH1 (0.47) ALDH1A1KDM4EPGRADRA2AADRA2B

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-2007048943-A1 HETEROGENEOUS CATALYST SYSTEM AND THE USE THEREOF NOVALYST DISCOVERY (FR) 2007-05-03 WO disclosed