SCHEMBL8439016

SCHEMBL8439016

COC(=O)CN(C(=O)OC)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GLA P06280 1/20 0.47
TSHR P16473 1/20 0.47
MLYCD O95822 2/20 0.46
GSTO1 P78417 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL2707534 0.87 ALDH1A1 (0.48) ALDH1A1GLATSHRSMN1; SMN2MEN1
SCHEMBL6295798 0.87 MLYCD (0.48) ALDH1A1GLATSHRMLYCDGSTO1
SCHEMBL5353769 0.86 ALDH1A1 (0.51) ALDH1A1GLATSHRMLYCDSMN1; SMN2
SCHEMBL5137574 0.85 ALDH1A1 (0.50) ALDH1A1GLATSHRSMN1; SMN2MEN1
SCHEMBL16207467 0.84 ABCB1 (0.50) ALDH1A1MLYCDSMN1; SMN2KMT2AMAPK1
SCHEMBL29873818 0.84 ALDH1A1 (0.46) ALDH1A1GLATSHRMLYCDGSTO1
SCHEMBL28294373 0.84 ALDH1A1 (0.46) ALDH1A1GLATSHRMLYCDGSTO1
SCHEMBL27519846 0.84 ALDH1A1 (0.46) ALDH1A1GLATSHRSMN1; SMN2MEN1
SCHEMBL28056111 0.84 ALDH1A1 (0.46) ALDH1A1GLATSHRSMN1; SMN2MEN1
SCHEMBL20314798 0.83 GSTO1 (0.58) ALDH1A1GLATSHRMLYCDGSTO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789015-B1 Process for the preparation of N-carboxymethylanthranilic acid esters CLARIANT GMBH (DE) 1999-12-29 EP disclosed
US-5811572-A Process for the preparation of N-carboxymethyleneanthranilic acid HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-22 US disclosed
EP-0789015-A1 Process for the preparation of N-carboxymethylanthranilic acid esters HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-13 EP disclosed