SCHEMBL17833334

SCHEMBL17833334

O=NC(=O)[C@H](Cc1ccc(N=O)cc1)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.52
PSMB5 P28074 1/20 0.43
MEP1B Q16820 2/20 0.43
ALDH1A1 P00352 1/20 0.41
MME P08473 2/20 0.41
ANPEP P15144 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PPARG P37231 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
SCHEMBL17835186 0.89 FPR2 (0.61) FPR2PSMB5MEP1BALDH1A1MME
SCHEMBL17833332 0.75 PSMB5 (0.52) PSMB5ALDH1A1MMEANPEPSIGMAR1
SCHEMBL73955 0.75 MME (0.56) PSMB5MEP1BALDH1A1MMEANPEP
SCHEMBL497336 0.75 MME (0.56) PSMB5MEP1BALDH1A1MMEANPEP
SCHEMBL11581853 0.75 MME (0.56) PSMB5MEP1BALDH1A1MMEANPEP
Hydrochloric Acid SCHEMBL1027766 0.74 MME (0.54) PSMB5MEP1BALDH1A1MMEANPEP
Hydrochloric Acid SCHEMBL7362927 0.74 MME (0.54) PSMB5MEP1BALDH1A1MMEANPEP
SCHEMBL17915462 0.73 MME (0.61) ALDH1A1MMEPPARG
SCHEMBL8843830 0.72 EPHX1 (0.51) PSMB5MEP1BANPEPSIGMAR1ATM
SCHEMBL11826525 0.72 SIGMAR1 (0.55) PSMB5MEP1BALDH1A1ANPEPSIGMAR1

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-2016094702-A2 METHODS FOR MODULATING TASTE RECEPTORS MARS, INCORPORATED (US) 2016-06-16 WO disclosed