SCHEMBL4790198

SCHEMBL4790198

CC(C)(Oc1ccc(C#N)cc1)C(=O)O.CCOc1ccccc1C#N

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.53
PPARD Q03181 5/20 0.53
PPARG P37231 13/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC22A12 Q96S37 1/20 0.43

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
SCHEMBL4700424 0.81 PPARA (0.64) PPARAPPARDPPARGKDM4EALDH1A1
SCHEMBL5451 0.75 SMN1; SMN2 (0.51) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL30283197 0.75 SMN1; SMN2 (0.51) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL21939443 0.74 L3MBTL1 (0.59) PPARAPPARGKDM4EALDH1A1NPSR1
Hydrochloric Acid SCHEMBL27764098 0.73 NPC1 (0.50) NPC1RAB9AKDM4EALDH1A1TP53
Acetoacetic Acid SCHEMBL27513054 0.72 SMN1; SMN2 (0.52) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL4692295 0.72 PPARA (0.66) PPARAPPARDPPARGRAB9AALDH1A1
SCHEMBL28020073 0.70 SMN1; SMN2 (0.47) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL7824870 0.69 PPARA (0.52) PPARAPPARDPPARGKDM4EALDH1A1
SCHEMBL14602138 0.69 PPARA (0.50) PPARAPPARDPPARGRAB9AKDM4E

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-1758582-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP disclosed
EP-1758582-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 EP disclosed
WO-2006002349-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-01-05 WO disclosed