SCHEMBL28084802

SCHEMBL28084802

C=C(C)C(=O)OCCOC(=O)Nc1ccc(NC(N)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 2/20 0.51
NPC1 O15118 7/20 0.49
RAB9A P51151 6/20 0.49
NPSR1 Q6W5P4 1/20 0.45
BCHE P06276 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CASP1 P29466 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
MCL1 Q07820 1/20 0.43
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
PEPD P12955 1/20 0.42
GLA P06280 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 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
SCHEMBL24439441 0.87 PKM (0.53) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL13872034 0.85 TSHR (0.48) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL1087332 0.85 NPC1 (0.60) SMN1; SMN2ALDH1A1NPC1RAB9ANPSR1
SCHEMBL14085634 0.84 BCHE (0.52) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL23463469 0.84 RAB9A (0.48) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL2030978 0.83 RAB9A (0.64) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL24121107 0.83 PKM (0.44) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL11886544 0.82 LMNA (0.44) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL25993799 0.82 NPC1 (0.49) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL25784599 0.82 LMNA (0.45) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104870484-B Addition-fragmentation oligomers 3M创新有限公司 2016-11-23 CN disclosed