SCHEMBL8778061

SCHEMBL8778061

O=C(Oc1cccc(C(=O)O)c1-c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.55
ESR2 Q92731 4/20 0.55
SENP1 Q9P0U3 1/20 0.49
HSD17B10 Q99714 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
SLC6A3 Q01959 1/20 0.47
TOP1 P11387 1/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
JAK2 O60674 1/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.45
HNF4A P41235 1/20 0.44

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
SCHEMBL6864417 0.91 SLC6A3 (0.55) ESR1ESR2HSD17B10KDM4EALDH1A1
SCHEMBL7757909 0.86 ESR1 (0.50) ESR1ESR2SENP1HSD17B10KDM4E
SCHEMBL4846409 0.85 ESR1 (0.69) ESR1ESR2HSD17B10KDM4EALDH1A1
SCHEMBL7761009 0.82 GAA (0.48) ESR1ESR2HSD17B10KDM4EALDH1A1
SCHEMBL4901583 0.80 ESR1 (0.51) ESR1ESR2HSD17B10KDM4EALDH1A1
SCHEMBL30180333 0.80 ESR1 (0.51) ESR1ESR2HSD17B10KDM4EALDH1A1
SCHEMBL8766831 0.79 ESR1 (0.54) ESR1ESR2HSD17B10KDM4EALDH1A1
Ethylbenzene SCHEMBL8778067 0.79 ESR1 (0.57) ESR1ESR2HSD17B10KDM4EALDH1A1
SCHEMBL7759509 0.79 ESR1 (0.51) ESR1ESR2HSD17B10KDM4EALDH1A1
SCHEMBL4901593 0.78 ESR1 (0.56) ESR1ESR2HSD17B10KDM4EALDH1A1

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-0585127-B1 Thermal Recording sheet JUJO PAPER CO LTD (JP) 1997-12-29 EP disclosed
US-5405821-A Containing a 4-hydroxyphenylarylsulfone color developer NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1995-04-11 US disclosed