SCHEMBL9856533

SCHEMBL9856533

CCCC(CC)OC(=O)c1ccc(C(=O)Oc2ccccc2)cc1.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.51
PRKCD Q05655 2/20 0.51
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PARP10 Q53GL7 1/20 0.44
NSD2 O96028 1/20 0.44
TMPRSS15 P98073 2/20 0.43
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
PDCD1 Q15116 1/20 0.41

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
SCHEMBL9856542 0.93 PRKCA (0.50) PRKCAPRKCDMAPTSMN1; SMN2PARP10
SCHEMBL5726833 0.87 PRKCA (0.60) PRKCAPRKCDSMN1; SMN2KMT2AALDH1A1
SCHEMBL15827354 0.87 PRKCA (0.60) PRKCAPRKCDSMN1; SMN2KMT2AALDH1A1
SCHEMBL5374728 0.85 PRKCA (0.66) PRKCAPRKCDMAPTKMT2AALDH1A1
SCHEMBL13114331 0.84 PNLIP (0.45) PRKCAPRKCDMAPTSMN1; SMN2KMT2A
SCHEMBL4944754 0.82 PRKCA (0.59) PRKCAPRKCDMAPTKMT2AALDH1A1
SCHEMBL5725942 0.80 LMNA (0.55) PRKCAPRKCDSMN1; SMN2PRSS1KMT2A
SCHEMBL24220270 0.79 PRKCA (0.59) PRKCAPRKCDMAPTKMT2AALDH1A1
SCHEMBL16020610 0.79 PRKCA (0.59) PRKCAPRKCDMAPTKMT2AALDH1A1
SCHEMBL6847090 0.79 PRKCA (0.59) PRKCAPRKCDSMN1; SMN2KMT2AALDH1A1

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