SCHEMBL8766831

SCHEMBL8766831

Cc1c(OC(=O)c2ccc(O)cc2)cccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.54
ESR2 Q92731 5/20 0.54
POLB P06746 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HSD17B10 Q99714 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
JAK2 O60674 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL29082498 0.85 POLB (0.47) ESR1ESR2POLBSLC6A3HSD17B10
SCHEMBL4846409 0.84 ESR1 (0.69) ESR1ESR2SLC6A3HSD17B10KDM4E
SCHEMBL4902432 0.81 ESR1 (0.50) ESR1ESR2SLC6A3HSD17B10KDM4E
SCHEMBL8767093 0.81 ESR1 (0.50) ESR1ESR2SLC6A3HSD17B10KDM4E
SCHEMBL8768305 0.81 ESR1 (0.50) ESR1ESR2SLC6A3HSD17B10KDM4E
SCHEMBL777822 0.80 CA1 (0.55) ESR1ESR2POLBALDH1A1LMNA
SCHEMBL18922755 0.80 HSD17B10 (0.73) ESR1ESR2POLBHSD17B10KDM4E
SCHEMBL8768041 0.80 ESR1 (0.46) ESR1ESR2SLC6A3HSD17B10KDM4E
SCHEMBL8778061 0.79 ESR1 (0.55) ESR1ESR2SLC6A3HSD17B10KDM4E
SCHEMBL8768023 0.79 ESR1 (0.48) ESR1ESR2SLC6A3HSD17B10KDM4E

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 4 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
EP-0570186-B1 Thermal recording sheet JUJO PAPER CO LTD (JP) 1997-08-13 EP disclosed
US-5405821-A Containing a 4-hydroxyphenylarylsulfone color developer NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1995-04-11 US disclosed
EP-0570186-A1 Thermal recording sheet NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1993-11-18 EP disclosed