SCHEMBL9856542

SCHEMBL9856542

CCCC(CC)OC(=O)c1ccc(OC(=O)c2ccccc2)cc1.[Na]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.50
PRKCD Q05655 1/20 0.50
PARP10 Q53GL7 1/20 0.50
MAPT P10636 8/20 0.48
KMT2A Q03164 8/20 0.48
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 5/20 0.46
ELANE P08246 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL9856533 0.93 PRKCA (0.51) PRKCAPRKCDPARP10MAPTKMT2A
SCHEMBL5726833 0.89 PRKCA (0.60) PRKCAPRKCDKMT2AALDH1A1TDP1
SCHEMBL15827354 0.89 PRKCA (0.60) PRKCAPRKCDKMT2AALDH1A1TDP1
SCHEMBL5374728 0.84 PRKCA (0.66) PRKCAPRKCDMAPTKMT2AALDH1A1
SCHEMBL13114331 0.83 PNLIP (0.45) PRKCAPRKCDMAPTKMT2AALDH1A1
SCHEMBL5725942 0.82 LMNA (0.55) PRKCAPRKCDKMT2AALDH1A1TDP1
SCHEMBL4944754 0.81 PRKCA (0.59) PRKCAPRKCDMAPTKMT2AALDH1A1
SCHEMBL18489570 0.80 PRKCA (0.62) PRKCAPRKCDKMT2AALDH1A1TDP1
SCHEMBL569361 0.79 LMNA (0.51) PRKCAPRKCDKMT2AALDH1A1TDP1
SCHEMBL443912 0.79 TSHR (0.57) PRKCAPRKCDKMT2AALDH1A1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426217-A2 Bleach precursors UNILEVER N.V. (NL) 1991-05-08 EP claimed
EP-0426217-A2 Bleach precursors UNILEVER N.V. (NL) 1991-05-08 EP disclosed