SCHEMBL1925752

SCHEMBL1925752

CC(C)(C)OC(=O)OC(=O)c1ccccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.56
HSD17B10 Q99714 9/20 0.56
CFTR P13569 1/20 0.56
KDM4E B2RXH2 6/20 0.46
HPGD P15428 4/20 0.46
GLA P06280 2/20 0.46
POLB P06746 2/20 0.44
TSHR P16473 3/20 0.44
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL29851692 0.86 ALDH1A1 (0.63) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL171563 0.86 ALDH1A1 (0.63) ALDH1A1HSD17B10CFTRKDM4EHPGD
Ethylene SCHEMBL27648737 0.83 ALDH1A1 (0.59) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL16681026 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL30162701 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL1925448 0.81 HSD17B10 (0.39) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL17671189 0.81 ALDH1A1 (0.72) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL2367627 0.80 ALDH1A1 (0.69) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL22978782 0.78 NAPRT (0.50) ALDH1A1HSD17B10KDM4EHPGDPOLB
SCHEMBL27422765 0.78 ALDH1A1 (0.67) ALDH1A1HSD17B10CFTRKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332935-A Synthesis method of folic acid 浙江工业大学 2023-06-27 CN disclosed
EP-2509942-A2 BIS-ACYLATED HYDROXYLAMINE DERIVATIVES Johns Hopkins University (US) 2012-10-17 EP disclosed
EP-2509941-A2 N-ACYLATED HYDROXYLAMINE DERIVATIVES AND O-ACYLATED HYDROXYLAMINE DERIVATIVES The Johns Hopkins University (US) 2012-10-17 EP disclosed
WO-2011071947-A2 BIS-ACYLATED HYDROXYLAMINE DERIVATIVES JOHNS HOPKINS UNIVERSITY (US) 2011-06-16 WO disclosed
WO-2011071951-A2 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES JOHNS HOPKINS UNIVERSITY (US) 2011-06-16 WO disclosed
US-5885816-A OPTICALLY RESOLVING A RACEMIC MIXTURE OF AMINO ACID DERIVATIVES, COMPRISING USING A NONSPECIFIC CATALYTIC ANTIBODY WHICH ENANTIOSELECTIVELY HYDROLIZES VARIOUS AMINO ACID ESTER DERIVATIVES PROTEIN ENGINEERING RESEARCH INSTITUTE (JP) 1999-03-23 US disclosed
EP-0765940-A1 CATALYTIC ANTIBODY WHICH HYDROLYZES AMINO ACID ESTER DERIVATIVE ENANTIOSELECTIVELY PROTEIN ENGINEERING RESEARCH INSTITUTE (JP) 1997-04-02 EP disclosed