SCHEMBL12468877

SCHEMBL12468877

NC(=O)CCOCCc1ccccc1.O=C1CN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
FFAR1 O14842 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
KEAP1 Q14145 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL3820690 0.89 TDP1 (0.52) LMNATDP1FFAR1KEAP1NPC1
Hydrochloric Acid SCHEMBL4733599 0.88 TDP1 (0.50) LMNATDP1FFAR1KEAP1NPC1
SCHEMBL31269978 0.80 LMNA (0.62) LMNATDP1FFAR1NPC1RAB9A
SCHEMBL9667394 0.78 MAPT (0.51) LMNATDP1FFAR1KEAP1MAPK1
SCHEMBL3584403 0.76 KEAP1 (0.63) TDP1FFAR1KEAP1ALDH1A1MAPK1
SCHEMBL22266190 0.74 TSHR (0.48) LMNATDP1NPC1RAB9AALDH1A1
SCHEMBL22266205 0.74 LMNA (0.53) LMNATDP1FFAR1KEAP1NPC1
SCHEMBL906396 0.74 TSHR (0.52) LMNATDP1NPC1RAB9AALDH1A1
SCHEMBL3594705 0.73 TDP1 (0.52) LMNATDP1FFAR1KEAP1NPC1
Acetone SCHEMBL27310709 0.71 ALDH1A1 (0.57) LMNATDP1FFAR1KEAP1NPC1

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-2627639-A1 N-OPTIONALLY SUBSTITUTED ARYL-2-OLIGOMER-3-ALKOXYPROPIONAMIDES Nektar Therapeutics (US) 2013-08-21 EP claimed
WO-2012051551-A1 N-OPTIONALLY SUBSTITUTED ARYL-2-OLIGOMER-3-ALKOXYPROPIONAMIDES NEKTAR THERAPEUTICS (US) 2012-04-19 WO claimed