SCHEMBL8374641

SCHEMBL8374641

COc1cccnc1OC(=O)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EGLN2 Q96KS0 1/20 0.43
FTO Q9C0B1 1/20 0.43
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SSTR4 P31391 1/20 0.40
MAPK8 P45983 1/20 0.40
CTSA P10619 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
EGLN1 Q9GZT9 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
Hydrochloric Acid SCHEMBL8809536 0.99 GAA (0.45) GAAPOLBSMN1; SMN2EGLN2FTO
SCHEMBL8375973 0.89 SSTR4 (0.42) GAAPOLBSMN1; SMN2MAPTALDH1A1
SCHEMBL8378285 0.84 LMNA (0.38) GAAPOLBSMN1; SMN2MAPTALDH1A1
SCHEMBL8374350 0.83 SMN1; SMN2 (0.39) GAAPOLBSMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL8374272 0.83 LMNA (0.42) GAASMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL8374349 0.82 FAAH (0.40) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL4070937 0.81 FTO (0.57) GAAEGLN2FTOALDH1A1MAPK8
SCHEMBL8375877 0.80 FAAH (0.46) GAAPOLBSMN1; SMN2MAPTALDH1A1
SCHEMBL8779171 0.80 EGLN2 (0.46) GAAEGLN2FTOMAPTALDH1A1
SCHEMBL8374372 0.80 FAAH (0.43) MAPTLMNAKDM4ENPC1

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
EP-0900202-A1 3-ALKOXYPYRIDINE-2-CARBOXYLIC ACID AMIDE ESTERS, THEIR PREPARATION AND THEIR USE AS DRUGS HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-10 EP disclosed
WO-1997041103-A1 3-ALKOXYPYRIDINE-2-CARBOXYLIC ACID AMIDE ESTERS, THEIR PREPARATION AND THEIR USE AS DRUGS HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-06 WO disclosed