SCHEMBL21785618

SCHEMBL21785618

O=C(Oc1ccc(C2(c3ccc(O)cc3)CCCCCCCCCCC2)cc1)Oc1ccc(C2(c3ccc(O)cc3)CCCCCCCCCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.67
ESR2 Q92731 4/20 0.67
ADORA3 P0DMS8 1/20 0.47
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
XBP1 P17861 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ACHE P22303 1/20 0.36
POLB P06746 1/20 0.36
ELANE P08246 2/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL22003009 1.00 ESR1 (0.67) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL22003012 0.94 ESR1 (0.59) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL11949464 0.94 ESR1 (0.59) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL21785601 0.94 ESR1 (0.59) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL21785664 0.94 ESR1 (0.59) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL22003010 0.94 ESR1 (0.59) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL23968910 0.93 ESR2 (0.57) ESR1ESR2ADORA3ALDH1A1MAPT
SCHEMBL21142158 0.89 ESR1 (0.65) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL7187586 0.89 ESR1 (0.65) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL8862756 0.89 ESR1 (0.65) ESR1ESR2ADORA3ALDH1A1L3MBTL1

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