SCHEMBL8128368

SCHEMBL8128368

C#CC(=O)N(CC(C)C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
GLA P06280 2/20 0.44
TSHR P16473 1/20 0.44
PSMB5 P28074 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 3/20 0.40
HTT P42858 2/20 0.40
FPR1 P21462 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
LMNA P02545 1/20 0.39
GPR88 Q9GZN0 1/20 0.39
OPRM1 P35372 2/20 0.37

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
SCHEMBL11404737 0.80 ALDH1A1 (0.52) ALDH1A1GLATSHRSMN1; SMN2MEN1
SCHEMBL8121494 0.79 ALDH1A1 (0.50) ALDH1A1GLATSHRSMN1; SMN2MEN1
SCHEMBL6919183 0.77 NPC1 (0.59) ALDH1A1GLATSHRSMN1; SMN2MEN1
SCHEMBL17666028 0.77 PSMB5 (0.44) ALDH1A1GLATSHRPSMB5SMN1; SMN2
SCHEMBL5495426 0.77 ALDH1A1 (0.48) ALDH1A1GLATSHRSMN1; SMN2MEN1
SCHEMBL8121490 0.77 ALDH1A1 (0.48) ALDH1A1GLATSHRSMN1; SMN2MEN1
SCHEMBL7379075 0.77 ALDH1A1 (0.48) ALDH1A1GLATSHRSMN1; SMN2MEN1
SCHEMBL15492964 0.76 ADRA2C (0.54) ALDH1A1GLATSHRSMN1; SMN2MEN1
SCHEMBL28630847 0.76 HTT (0.46) ALDH1A1GLATSHRPSMB5SMN1; SMN2
SCHEMBL2069363 0.76 OPRM1 (0.56) ALDH1A1GLATSHRSMN1; SMN2TP53

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-0519353-B1 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO (JP) 2000-08-16 EP claimed