SCHEMBL8397983

SCHEMBL8397983

CON=CC(=O)N(C)c1ccccc1COc1ccc(C)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
ESR1 P03372 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
ESR2 Q92731 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
HIF1A Q16665 1/20 0.38
MAOB P27338 1/20 0.38
HSP90AA1 P07900 1/20 0.37
MAPT P10636 4/20 0.37
GPR183 P32249 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 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
SCHEMBL8400501 0.88 FFAR1 (0.40) NPC1HIF1AMAOBMAPTKDM4E
SCHEMBL8400198 0.87 TDP1 (0.40) TDP1ESR1TP53POLBAPEX1
SCHEMBL8396306 0.87 HIF1A (0.42) TDP1L3MBTL1HIF1AMAOBMAPT
SCHEMBL8399047 0.87 GRM5 (0.39) TDP1TP53L3MBTL1HIF1AMAOB
SCHEMBL8399075 0.84 KMT2A (0.42) POLBMAOBKDM4EALDH1A1
SCHEMBL8846363 0.84 PTGER4 (0.42) POLBMAPK1NPC1RAB9AMAPT
SCHEMBL7646069 0.84 SMN1; SMN2 (0.40) TDP1POLBNPC1RAB9AMAPT
SCHEMBL896797 0.84 SMN1; SMN2 (0.40) TDP1POLBNPC1RAB9AMAPT
SCHEMBL8399231 0.84 HIF1A (0.44) HIF1AMAOB
SCHEMBL8399059 0.84 SMN1; SMN2 (0.40) TDP1POLBNPC1RAB9AMAPT

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-0644183-B1 Process of producing N-alkylacetamides SHIONOGI & CO (JP) 1999-06-02 EP disclosed
US-5498792-A Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1996-03-12 US disclosed
EP-0644183-A2 Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1995-03-22 EP disclosed