SCHEMBL28013153

SCHEMBL28013153

N[C@@H](Cc1ccccc1)C(=O)OC(=O)c1ccccc1O.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
SLC7A5 Q01650 3/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC15A1 P46059 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
TYR P14679 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LTA4H P09960 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41

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
SCHEMBL27850898 0.99 TDP1 (0.56) TDP1SLC7A5ALPIPKMPTGS1
SCHEMBL4410808 0.90 TDP1 (0.50) TDP1SLC7A5ALPIPKMPTGS1
SCHEMBL9489750 0.84 ALDH1A1 (0.56) TDP1SLC7A5ALPIPKMPTGS1
SCHEMBL28630181 0.84 ALDH1A1 (0.54) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL28314060 0.83 PKM (0.50) TDP1SLC7A5ALPIPKMPTGS1
SCHEMBL28361736 0.82 SLC7A5 (0.56) TDP1SLC7A5ALPIPKMPTGS1
SCHEMBL28820471 0.81 SLC7A5 (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL288607 0.81 SLC7A5 (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL8835936 0.81 SLC7A5 (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6896518 0.81 TDP1 (0.50) TDP1HPGDHSD17B10ALOX15ALDH1A1

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
CN-104519888-A Improved compositions and methods for delivery of omeprazole plus acetylsalicylic acid POZEN INC 2015-04-15 CN disclosed