SCHEMBL9619563

SCHEMBL9619563

CC(=O)c1ccc(Oc2ccc3cc(Oc4ccc(C(C)=O)cc4)ccc3c2)cc1.Oc1ccc2cc(O)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.66
MAPT P10636 1/20 0.66
HPGD P15428 1/20 0.66
ESRRA P11474 1/20 0.56
PARP10 Q53GL7 1/20 0.49
HSD17B1 P14061 3/20 0.48
SCN7A Q01118 1/20 0.47
KCNH2 Q12809 1/20 0.47
SCN9A Q15858 1/20 0.47
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
NPC1 O15118 1/20 0.45
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
ESR1 P03372 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAOB P27338 2/20 0.44
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL9619566 0.95 MAPT (0.68) RAB9AMAPTHPGDESRRAPARP10
SCHEMBL9619696 0.91 HPGD (0.79) RAB9AMAPTHPGDESRRAPARP10
SCHEMBL4787074 0.87 HPGD (0.73) RAB9AMAPTHPGDESRRAPARP10
SCHEMBL4100319 0.85 HPGD (0.83) RAB9AMAPTHPGDESRRAPARP10
SCHEMBL9701153 0.84 PARP10 (0.55) RAB9APARP10KMT2AMEN1NPC1
SCHEMBL23386082 0.83 ESR1 (0.62) PARP10HSD17B1KMT2AMEN1ESR1
SCHEMBL13692140 0.83 MAPT (0.66) RAB9AMAPTHPGDESRRAPARP10
SCHEMBL1177919 0.81 KMT2A (0.58) RAB9AMAPTHPGDHSD17B1KMT2A
SCHEMBL23386311 0.81 ESR1 (0.67) PARP10KMT2AMEN1ESR1ESR2
SCHEMBL203697 0.81 HPGD (1.00) RAB9AMAPTHPGDESRRAPARP10

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-0467826-A2 Linear polymers CIBA-GEIGY AG (CH) 1992-01-22 EP disclosed