SCHEMBL9115063

SCHEMBL9115063

N[C@@H](CC(=O)O)C(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC15A1 P46059 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5422827 0.82 KCNA5 (0.48) POLBMAPK1NPSR1ALDH1A1NPC1
SCHEMBL1562840 0.81 ACE (0.41) ALDH1A1
SCHEMBL27459998 0.81 ACE (0.41) ALDH1A1
SCHEMBL9639124 0.80 POLB (0.39) POLBMAPK1NPSR1ALDH1A1NPC1
SCHEMBL18261157 0.80 SLC7A5 (0.61) NPSR1ALPIPKMPTGS1XIAP
SCHEMBL3834508 0.80 LTA4H (0.38) POLBMAPK1NPSR1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL10509889 0.80 ACE (0.40) ALDH1A1
SCHEMBL31527967 0.80 ALDH1A1 (0.56) ALDH1A1HTTKMT2ACYP2C19
SCHEMBL6690977 0.77 ALDH1A1 (0.43) POLBMAPK1ALDH1A1GABBR2GABBR1
SCHEMBL8850414 0.77 CYP1A2 (0.39) POLBMAPK1ALDH1A1KMT2AGABBR2

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
WO-1995017828-A1 CHEWING GUM CONTAINING BETA GLUCAN-STABILIZED ASPARTAME WM. WRIGLEY JR. COMPANY (US) 1995-07-06 WO disclosed
US-5175009-A Calcium carbonate free; mixing food acids to control pH below 5; consists of water soluble bulk portion, base portion, flavoring agent and aspartame WM. WRIGLEY JR. COMPANY (US) 1992-12-29 US disclosed
US-4508912-A UNING METAL OXIDE, HYDROXIDE, ACID OR ACID SALT, OR ORGANOBASIC COMPOUND CATALYST AJINOMOTO COMPANY, INCORPORATED (JP) 1985-04-02 US disclosed