SCHEMBL8663901

SCHEMBL8663901

N[C@@H](Cc1ccccc1)C(=O)N([N+]=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.54
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
PTGS1 P23219 1/20 0.54
XIAP P98170 1/20 0.54
SLC15A1 P46059 2/20 0.47
LTA4H P09960 2/20 0.45
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
HDAC8 Q9BY41 2/20 0.43
MC4R P32245 1/20 0.42
MC5R P33032 1/20 0.42
MC3R P41968 1/20 0.42
CTSC P53634 1/20 0.41
CYP1A2 P05177 1/20 0.41
LAP3 P28838 3/20 0.40
ANPEP P15144 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL3834508 0.83 LTA4H (0.38) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL18261157 0.80 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL3192649 0.80 CYP1A2 (0.42) SLC15A1LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL6581938 0.80 LARS1 (0.47) SLC7A5LTA4HLAP3ANPEP
SCHEMBL16669850 0.78 ALPI (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL16669849 0.78 ALPI (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL18342512 0.77 ALDH1A1 (0.38)
SCHEMBL30959049 0.75 ALPI (0.63) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1764633 0.75 ALPI (0.63) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL26954884 0.75 ALPI (0.63) SLC7A5ALPIPKMPTGS1XIAP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776780-A AUTOMATIC ANALYZING; COLORIMETRIC PHOTOMETRY CHIMERA RESEARCH & CHEMICAL, INC. (US) 1998-07-07 US claimed
EP-0623146-A1 COMPOUNDS AND METHODS FOR INHIBITING $g(b)-PROTEIN FUNCTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1994-11-09 EP disclosed
WO-1993015112-A2 COMPOUNDS AND METHODS FOR INHIBITING β-PROTEIN FUNCTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1993-08-05 WO disclosed