SCHEMBL20168974

SCHEMBL20168974

CCc1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C(=O)OCc5ccccc5)cc4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A3 Q01959 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
LMNA P02545 1/20 0.59
ALDH1A1 P00352 5/20 0.56
MAPT P10636 5/20 0.56
HPGD P15428 3/20 0.56
SRD5A2 P31213 4/20 0.55
GAA P10253 2/20 0.54
RAB9A P51151 2/20 0.54
HTT P42858 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MEN1 O00255 1/20 0.51
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL20168975 0.89 MAPT (0.60) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL10823522 0.88 KMT2A (0.76) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL13469241 0.88 KMT2A (0.76) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL20340356 0.87 MAPT (0.58) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL9518321 0.87 KMT2A (0.73) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL6425819 0.87 SRD5A2 (0.66) KMT2AALDH1A1MAPTSRD5A2GAA
SCHEMBL6156961 0.84 KMT2A (0.65) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL10930442 0.84 KMT2A (0.65) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL8469846 0.84 KMT2A (0.69) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL23134300 0.83 KMT2A (0.79) KMT2ASLC6A2SLC6A3TDP1LMNA

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
US-9976063-B2 Polyarylether ketone imide sulfone adhesives THE BOEING COMPANY (US) 2018-05-22 US disclosed