SCHEMBL5494993

SCHEMBL5494993

COC(=O)N(C(=O)OCc1ccccc1)C(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
ABCB1 P08183 2/20 0.47
ATM Q13315 2/20 0.43
CCR6 P51684 1/20 0.43
PAX8 Q06710 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CTSK P43235 3/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SLC15A1 P46059 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
SCHEMBL8043863 0.94 ALDH1A1 (0.53) ALDH1A1ABCB1ATMCCR6PAX8
SCHEMBL7994098 0.88 ALDH1A1 (0.50) ALDH1A1ABCB1ATMCCR6PAX8
SCHEMBL28721531 0.86 ABCB1 (0.45) ALDH1A1ABCB1ATMCCR6PAX8
SCHEMBL28836242 0.86 ALDH1A1 (0.45) ALDH1A1ABCB1ATMCCR6PAX8
SCHEMBL28721530 0.86 ABCB1 (0.45) ALDH1A1ABCB1ATMCCR6PAX8
SCHEMBL30297616 0.83 ALDH1A1 (0.51) ALDH1A1ABCB1ATMCCR6PAX8
SCHEMBL28805499 0.83 SLC15A1 (0.45) ALDH1A1ABCB1MAPK1L3MBTL1SLC6A2
SCHEMBL28805500 0.83 SLC15A1 (0.45) ALDH1A1ABCB1MAPK1L3MBTL1SLC6A2
SCHEMBL16440493 0.81 ALDH1A1 (0.56) ALDH1A1ABCB1ATMCCR6PAX8
SCHEMBL381080 0.80 ABCB1 (0.53) ALDH1A1ABCB1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163917-B2 Synthesis method of alanylglutamine ZHAO YUFEN 2007-01-16 US claimed
US-20050233977-A1 Process of producing ala-gln dipeptide ZHAO YUFEN 2005-10-20 US claimed