SCHEMBL13639156

SCHEMBL13639156

CCCC(=O)N(C)Cc1cccc(OCC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.57
PPARG P37231 1/20 0.57
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA4 P22748 4/20 0.50
CA9 Q16790 4/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
PTGIR P43119 1/20 0.47
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
PLA2G4B P0C869 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL765937 0.77 PPARA (0.68) PPARAPPARGSMN1; SMN2LMNAMAPK1
SCHEMBL1690816 0.77 NPC1 (0.82) RAB9ANPC1SMN1; SMN2CA12CA9
SCHEMBL19002587 0.76 HSD17B1 (0.56) RAB9ANPC1KMT2A
SCHEMBL346586 0.74 PPARA (0.60) PPARAPPARGCA12CA1CA2
SCHEMBL8368616 0.74 CYP2D6 (0.53) PLA2G4BBCHEACHE
SCHEMBL15063356 0.74 LMNA (0.74) PPARAPPARGSMN1; SMN2LMNAMAPK1
SCHEMBL14885505 0.74 PPARA (0.63) PPARAPPARGSMN1; SMN2CA12CA1
Hydrochloric Acid SCHEMBL9118273 0.73 CYP2D6 (0.53) PLA2G4BBCHEACHE
SCHEMBL9502544 0.73 PPARA (1.00) PPARAPPARGLMNAPTGIRPLA2G4B
SCHEMBL1635493 0.73 PPARA (1.00) PPARAPPARGLMNAPTGIRPLA2G4B

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
EP-1481976-B1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2012-11-07 EP disclosed