SCHEMBL3501286

SCHEMBL3501286

Nc1ccccc1C(=O)C[C@H](NC=O)C(=O)OO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.40
HSD17B10 Q99714 8/20 0.40
TSHR P16473 2/20 0.40
CFTR P13569 1/20 0.40
KDM4E B2RXH2 7/20 0.39
HPGD P15428 7/20 0.39
RCE1 Q9Y256 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 2/20 0.37
MAPK1 P28482 2/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL146329 0.85 KDM4E (0.42) ALDH1A1HSD17B10TSHRCFTRKDM4E
L-Kynurenine SCHEMBL9636977 0.79 KDM4E (0.49) ALDH1A1HSD17B10CFTRKDM4EHIF1A
SCHEMBL4458686 0.77 ALDH1A1 (0.46) ALDH1A1HSD17B10TSHRCFTRKDM4E
SCHEMBL288333 0.71 MAPT (0.43) ALDH1A1HSD17B10TSHRCFTRKDM4E
SCHEMBL5388881 0.71 MAPT (0.43) ALDH1A1HSD17B10TSHRCFTRKDM4E
SCHEMBL7673421 0.71 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHRCFTRKDM4E
SCHEMBL4351788 0.70 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRCFTRKDM4E
SCHEMBL22368114 0.70 MAPT (0.42) ALDH1A1HSD17B10TSHRCFTRKDM4E
SCHEMBL22053899 0.70 MAPT (0.42) ALDH1A1HSD17B10TSHRCFTRKDM4E
SCHEMBL17623476 0.70 MAPT (0.42) ALDH1A1HSD17B10TSHRCFTRKDM4E

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-20100173418-A1 Polypeptides with Reduced Susceptibility to Oxidation and Methods of Making AMGEN INC. 2010-07-08 US disclosed
US-20080038258-A1 Polypeptides with Reduced Susceptibility to Oxidation and Methods of Making AMGEN INC. (US) 2008-02-14 US disclosed