SCHEMBL12829017

SCHEMBL12829017

CCCC[C@H](N)CC(=O)Nc1ccc2c(c1)OCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
TAS1R3 Q7RTX0 2/20 0.59
TAS1R1 Q7RTX1 2/20 0.59
SMN1; SMN2 Q16637 5/20 0.58
MAPT P10636 4/20 0.58
KMT2A Q03164 4/20 0.58
KDM4E B2RXH2 3/20 0.58
RAB9A P51151 5/20 0.58
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
ALDH1A1 P00352 5/20 0.55
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
MEN1 O00255 3/20 0.53
POLB P06746 2/20 0.52
NPC1 O15118 2/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL1486246 0.80 TAS1R3 (0.65) LMNATAS1R3TAS1R1SMN1; SMN2MAPT
SCHEMBL12182474 0.78 GAA (0.82) LMNATAS1R3TAS1R1SMN1; SMN2MAPT
SCHEMBL4201407 0.75 TAS1R3 (1.00) LMNATAS1R3TAS1R1SMN1; SMN2MAPT
SCHEMBL179086 0.74 SMN1; SMN2 (0.77) LMNASMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL14424472 0.74 RAB9A (0.66) TAS1R3TAS1R1SMN1; SMN2MAPTKMT2A
SCHEMBL28366072 0.73 ALDH1A1 (0.74) LMNATAS1R3TAS1R1SMN1; SMN2MAPT
SCHEMBL29975649 0.73 ALDH1A1 (0.74) LMNATAS1R3TAS1R1SMN1; SMN2MAPT
SCHEMBL5923977 0.73 TAS1R3 (0.68) LMNATAS1R3TAS1R1SMN1; SMN2MAPT
SCHEMBL6991114 0.72 ALDH1A1 (0.72) LMNASMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL5385475 0.72 ALDH1A1 (0.72) LMNASMN1; SMN2MAPTKMT2AKDM4E

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-2289887-A2 Epoxycarboxylic acid amides, azides and amino alcohols and processes for preparation of alpha-keto amides by using them SEIKAGAKU CORPORATION (JP) 2011-03-02 EP disclosed
EP-2289888-A2 Epoxycarboxylic acid amides, azides and amino alcohols and processes for preparation of alpha-keto amides by using them SEIKAGAKU CORPORATION (JP) 2011-03-02 EP disclosed