SCHEMBL8930119

SCHEMBL8930119

O=C(O)CN(CC(=O)O)Cc1cccc(CN(CC(=O)O)CC(=O)O)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.49
ALOX15 P16050 2/20 0.49
TSHR P16473 2/20 0.49
CYP2C19 P33261 2/20 0.49
HIF1A Q16665 1/20 0.49
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
MEP1B Q16820 2/20 0.42
AKR1B1 P15121 1/20 0.42
KEAP1 Q14145 2/20 0.41
EYA2 O00167 1/20 0.41
APP P05067 1/20 0.41
ACE P12821 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
EPOR P19235 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 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
SCHEMBL19185511 0.90 IAPP (0.47) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL22916859 0.89 AKR1B1 (0.52) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL12828123 0.88 TDP1 (0.41) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL1131162 0.87 TDP1 (0.44) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL641321 0.85 TDP1 (0.49) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL11355111 0.83 IDO1 (0.50) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL5270137 0.83 EGFR (0.45) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL4296152 0.82 AKR1B1 (0.61) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL12749510 0.81 HIF1A (0.40) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL12828118 0.81 TDP1 (0.36) TDP1ALOX15TSHRCYP2C19HIF1A

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
JP-9003493-A None JP disclosed
JP-H093493-A DETERGENT COMPOSITION KAO CORP 1997-01-07 JP disclosed