SCHEMBL11275778

SCHEMBL11275778

NN(C(=O)OCc1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.46
IDO1 P14902 2/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
HTR2A P28223 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CCR5 P51681 1/20 0.42

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
SCHEMBL11272029 0.82 RAB9A (0.43) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL11271277 0.82 RAB9A (0.43) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL10885468 0.80 RAB9A (0.59) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL6046672 0.79 RAB9A (0.54) RAB9ANPC1IDO1TDP1ALDH1A1
SCHEMBL6559779 0.78 RAB9A (0.56) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL9350698 0.78 RAB9A (0.56) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL11144069 0.77 RAB9A (0.52) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL6772418 0.76 RAB9A (0.53) RAB9AMAPTHTTNPSR1NPC1
SCHEMBL6046632 0.76 RAB9A (0.50) RAB9AHTTNPC1IDO1HTR2A
SCHEMBL11271206 0.75 RAB9A (0.46) RAB9AMAPTHTTNPSR1NPC1

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-4329285-A REACTING WITH ACETOFORMIC ANHYDRIDE C R A F SUD (IT) 1982-05-11 US disclosed