SCHEMBL13625650

SCHEMBL13625650

O=C(OC1CCCCC1)c1cc(CO)cc(C(=O)OC2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.49
STS P08842 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.42
CYP19A1 P11511 1/20 0.42
MMP9 P14780 2/20 0.41
MMP12 P39900 2/20 0.41
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
MMP1 P03956 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL6577408 0.88 SERPINE1 (0.60) SERPINE1STSSMN1; SMN2LMNAMAPT
SCHEMBL13015792 0.87 HTT (0.49) SERPINE1STSSMN1; SMN2LMNAMAPT
SCHEMBL343297 0.86 SERPINE1 (0.62) SERPINE1STSSMN1; SMN2LMNAMAPT
SCHEMBL112021 0.83 MEN1 (0.56) SERPINE1STSSMN1; SMN2LMNAMAPT
SCHEMBL22432814 0.83 SMYD3 (0.47) STSSMN1; SMN2LMNAMAPTNPSR1
SCHEMBL13625652 0.82 SERPINE1 (0.44) SERPINE1STSSMN1; SMN2LMNAMAPT
SCHEMBL6857436 0.81 SERPINE1 (0.58) SERPINE1STSSMN1; SMN2LMNAMAPT
SCHEMBL6857427 0.81 SERPINE1 (0.58) SERPINE1STSSMN1; SMN2LMNAMAPT
SCHEMBL2611728 0.81 SERPINE1 (0.53) SERPINE1STSSMN1; SMN2LMNAMAPT
SCHEMBL6851327 0.81 SERPINE1 (0.58) SERPINE1STSSMN1; SMN2LMNAMAPT

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
WO-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO disclosed