SCHEMBL21785675

SCHEMBL21785675

O=C(Oc1ccccc1)Oc1ccc(C2(c3ccc(OC(=O)Oc4ccc(C5(c6ccc(OC(=O)Oc7ccccc7)cc6)CCCCCCCCCCC5)cc4)cc3)CCCCCCCCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.50
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
FAAH O00519 4/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPV1 Q8NER1 3/20 0.41
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41
AKR1C1 Q04828 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC4 P56524 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL16395122 1.00 ADORA3 (0.50) ADORA3ESR1ESR2FAAHKDM4E
SCHEMBL22003011 1.00 ADORA3 (0.50) ADORA3ESR1ESR2FAAHKDM4E
SCHEMBL21785664 0.94 ESR1 (0.59) ADORA3ESR1ESR2FAAHKDM4E
SCHEMBL22003012 0.94 ESR1 (0.59) ADORA3ESR1ESR2FAAHKDM4E
SCHEMBL22003010 0.94 ESR1 (0.59) ADORA3ESR1ESR2FAAHKDM4E
SCHEMBL21785601 0.94 ESR1 (0.59) ADORA3ESR1ESR2FAAHKDM4E
SCHEMBL11949464 0.91 ESR1 (0.59) ADORA3ESR1ESR2FAAHKDM4E
SCHEMBL11949421 0.90 ADORA3 (0.48) ADORA3ESR1ESR2FAAHKDM4E
SCHEMBL12358731 0.90 ADORA3 (0.48) ADORA3ESR1ESR2FAAHKDM4E
SCHEMBL12313794 0.90 ADORA3 (0.48) ADORA3ESR1ESR2FAAHKDM4E

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-20200071461-A1 AROMATIC POLYCARBONATE OLIGOMER SOLID HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2020-03-05 US disclosed