SCHEMBL8778012

SCHEMBL8778012

O=C(Oc1c(C(=O)O)cccc1-c1ccc2ccccc2c1)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
ACMSD Q8TDX5 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SENP1 Q9P0U3 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ESR2 Q92731 3/20 0.44
ESR1 P03372 3/20 0.44
MCL1 Q07820 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
SOS1 Q07889 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC4 P56524 1/20 0.41

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
SCHEMBL8778066 0.86 HNF4A (0.51) SLC6A3SENP1MAPTESR2ESR1
SCHEMBL8778030 0.81 NR4A1 (0.46) ACMSDMEN1KMT2ASENP1ESR2
SCHEMBL7757909 0.81 ESR1 (0.50) SLC6A2SLC6A4SLC6A3ACMSDMEN1
SCHEMBL9407559 0.80 ESR1 (0.38) SLC6A2SLC6A4SLC6A3ACMSDMEN1
SCHEMBL22127369 0.79 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3ACMSDMEN1
SCHEMBL6264269 0.78 HNF4A (0.53) SLC6A3MEN1KMT2AMAPTTDP1
SCHEMBL84188 0.74 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3ACMSDMEN1
SCHEMBL29618929 0.74 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3ACMSDMEN1
SCHEMBL30610922 0.74 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3ACMSDMEN1
Bromide SCHEMBL7032662 0.73 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3ACMSDMEN1

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