SCHEMBL13625652

SCHEMBL13625652

O=C(OC1CCC2CCCCC2C1)c1cc(CO)cc(C(=O)OC2CCC3CCCCC3C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.44
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3A P46098 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1I2 O75469 1/20 0.38
PRKCA P17252 3/20 0.36
PRKCD Q05655 3/20 0.36
GMNN O75496 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MTOR P42345 1/20 0.35
PMP22 Q01453 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL13625650 0.82 SERPINE1 (0.49) SERPINE1CYP1A2CYP2D6HTR3EHTR3B
SCHEMBL17941263 0.75 KMT2A (0.45) SERPINE1CYP2D6MEN1CYP2C19KMT2A
SCHEMBL17941240 0.74 STS (0.46) SERPINE1KMT2ATSHRSTSLMNA
SCHEMBL17941237 0.74 STS (0.46) SERPINE1CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL16015361 0.74 MEN1 (0.55) SERPINE1CYP1A2CYP2D6HTR3EHTR3B
SCHEMBL17941233 0.72 SERPINE1 (0.45) SERPINE1CYP1A2CYP2D6MEN1CYP2C19
SCHEMBL17941244 0.71 ALOX15 (0.40) SERPINE1CYP1A2CYP2D6MEN1CYP2C19
SCHEMBL13625648 0.71 SERPINE1 (0.43) SERPINE1MEN1KMT2APRKCAPRKCD
SCHEMBL17941235 0.71 SERPINE1 (0.41) SERPINE1CYP1A2CYP2D6MEN1CYP2C19
SCHEMBL343297 0.71 SERPINE1 (0.62) SERPINE1CYP1A2CYP2D6HTR3EHTR3B

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