SCHEMBL13625641

SCHEMBL13625641

O=C(OCC1CCCCC1)c1cc(CO)cc(C(=O)OCC2CCCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 3/20 0.42
PRKCD Q05655 3/20 0.42
LMNA P02545 1/20 0.41
JMJD6 Q6NYC1 1/20 0.41
PARP15 Q460N3 2/20 0.40
PARP10 Q53GL7 2/20 0.40
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
EGFR P00533 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PDE1C Q14123 1/20 0.38
TDP1 Q9NUW8 1/20 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
SCHEMBL20369182 0.88 JMJD6 (0.47) LMNAJMJD6PARP15PARP10EGFR
SCHEMBL27255751 0.86 MEN1 (0.44) LMNAJMJD6PARP15PARP10MEN1
SCHEMBL19399040 0.81 DRD2 (0.44) JMJD6PARP15PARP10DRD2DRD4
SCHEMBL10087721 0.80 LCK (0.43) LMNAJMJD6PARP15PARP10EGFR
SCHEMBL3468807 0.80 PARP15 (0.54) LMNAJMJD6PARP15PARP10DRD2
SCHEMBL13625651 0.80 GABRP (0.39) PRKCAPRKCDDRD2DRD4
SCHEMBL28780695 0.79 SERPINE1 (0.57) LMNAEGFRTDP1
SCHEMBL16247834 0.79 L3MBTL1 (0.40) JMJD6MEN1KMT2APDE1C
SCHEMBL13625650 0.78 SERPINE1 (0.49) PRKCAPRKCDLMNAMEN1KMT2A
SCHEMBL27786755 0.78 SERPINE1 (0.58) LMNATDP1

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