SCHEMBL2564366

SCHEMBL2564366

CCCCc1ccc(C(=O)C(=O)c2ccc(CCCC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.67
PLK1 P53350 1/20 0.67
THRA P10827 7/20 0.66
THRB P10828 7/20 0.66
ALDH1A1 P00352 3/20 0.62
HPGD P15428 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
RARA P10276 1/20 0.58
MAPT P10636 1/20 0.58
MTOR P42345 1/20 0.58
TRPV1 Q8NER1 1/20 0.57
PLA2G1B P04054 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54

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
SCHEMBL13950912 1.00 RARB (0.67) RARBPLK1THRATHRBALDH1A1
SCHEMBL2853869 0.92 THRA (0.77) RARBTHRATHRBALDH1A1MEN1
SCHEMBL2849969 0.92 THRA (0.77) RARBTHRATHRBALDH1A1MEN1
SCHEMBL28494516 0.90 RARB (0.66) RARBPLK1THRATHRBALDH1A1
SCHEMBL28017840 0.88 RARB (0.59) RARBPLK1THRATHRBALDH1A1
SCHEMBL1404028 0.87 RARB (0.67) RARBPLK1THRATHRBALDH1A1
SCHEMBL2831001 0.85 THRA (0.69) RARBTHRATHRBALDH1A1MEN1
SCHEMBL31135463 0.85 PLK1 (0.60) RARBPLK1THRATHRBALDH1A1
SCHEMBL967078 0.85 HSD17B10 (0.67) RARBPLK1THRATHRBALDH1A1
SCHEMBL181230 0.85 RARB (0.89) RARBPLK1THRATHRBALDH1A1

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-2038341-B1 COMPOSITION WITH A POLYMER AND AN OXIDATION-CATALYST DSM IP ASSETS BV (NL) 2011-11-02 EP disclosed
US-20100130695-A1 COMPOSITION WITH A POLYMER AND AN OXIDATION-CATALYST DSM IP ASSETS B.V. (NL) 2010-05-27 US disclosed