SCHEMBL7759505

SCHEMBL7759505

O=C(Oc1ccccc1CCc1ccccc1C(=O)O)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.54
ESR2 Q92731 4/20 0.54
NPSR1 Q6W5P4 2/20 0.51
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
FOLH1 Q04609 3/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
SLC6A3 Q01959 1/20 0.46
LMNA P02545 2/20 0.44
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL4901578 0.89 TSHR (0.54) ESR1ESR2NPSR1HSD17B10ALDH1A1
SCHEMBL4846409 0.84 ESR1 (0.69) ESR1ESR2NPSR1HSD17B10ALDH1A1
SCHEMBL7739852 0.81 ESR1 (0.62) ESR1ESR2NPSR1HSD17B10ALDH1A1
SCHEMBL4907924 0.80 ESR1 (0.66) ESR1ESR2ALDH1A1TSHRFOLH1
SCHEMBL10919965 0.79 ESR1 (0.51) ESR1ESR2NPSR1HSD17B10ALDH1A1
SCHEMBL30629783 0.79 NPSR1 (0.59) ESR1ESR2NPSR1HSD17B10ALDH1A1
SCHEMBL891145 0.78 LMNA (0.59) ESR1ESR2NPSR1HSD17B10ALDH1A1
Ethylbenzene SCHEMBL8778067 0.78 ESR1 (0.57) ESR1ESR2HSD17B10ALDH1A1KDM4E
SCHEMBL4904703 0.78 ESR1 (0.58) ESR1ESR2ALDH1A1TSHRFOLH1
SCHEMBL8778062 0.77 ESR1 (0.51) ESR1ESR2HSD17B10ALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778157-B1 A thermal recording medium JUJO PAPER CO LTD (JP) 2001-04-04 EP disclosed
US-5811368-A BASIC LEUCO DYE, PHENOLIC COLOR DEVELOPER; IMPROVED STABILITY TO PLASTICIZERS NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1998-09-22 US disclosed
EP-0778157-A2 A thermal recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1997-06-11 EP disclosed