SCHEMBL6890628

SCHEMBL6890628

COc1ccccc1C1OC(=O)CC1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
FABP5 Q01469 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 7/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
FABP3 P05413 2/20 0.44
FABP7 O15540 1/20 0.44
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RECQL P46063 1/20 0.41
CYP19A1 P11511 1/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 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
SCHEMBL6885972 1.00 TSHR (0.55) TSHRFABP5USP2ALDH1A1KMT2A
SCHEMBL6890626 1.00 TSHR (0.55) TSHRFABP5USP2ALDH1A1KMT2A
SCHEMBL6890624 1.00 TSHR (0.55) TSHRFABP5USP2ALDH1A1KMT2A
SCHEMBL15116650 0.89 TSHR (0.52) TSHRFABP5USP2ALDH1A1KMT2A
SCHEMBL613562 0.88 TSHR (0.49) TSHRUSP2ALDH1A1KMT2AMEN1
SCHEMBL20054279 0.87 TSHR (0.51) TSHRFABP5USP2ALDH1A1KMT2A
SCHEMBL12330316 0.87 TSHR (0.54) TSHRFABP5USP2ALDH1A1KMT2A
SCHEMBL15125206 0.87 TSHR (0.51) TSHRFABP5USP2ALDH1A1KMT2A
SCHEMBL9715115 0.85 MAPK1 (0.50) TSHRUSP2MAPTMAPK1
SCHEMBL15113828 0.85 TSHR (0.49) TSHRUSP2ALDH1A1KMT2AMEN1

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108484538-B Synthesis method of nematicide containing lactone ring 山东省联合农药工业有限公司 2020-06-12 CN claimed
CN-107011301-B A kind of 2-(2- methoxyphenyl) -5- oxo-tetrahydrofuran -3- carboxylic acid preparation method 山东省联合农药工业有限公司 2019-06-28 CN claimed
CN-108484538-A A kind of synthetic method of the nematicide containing lactonic ring 山东省联合农药工业有限公司 2018-09-04 CN claimed
CN-107011301-A One kind 2(2 methoxyphenyls)The preparation method of the carboxylic acid of 5 oxo-tetrahydrofuran 3 山东省联合农药工业有限公司 2017-08-04 CN claimed
CN-108484538-B Synthesis method of nematicide containing lactone ring 山东省联合农药工业有限公司 2020-06-12 CN disclosed
CN-108484538-B Synthesis method of nematicide containing lactone ring 山东省联合农药工业有限公司 2020-06-12 CN disclosed
CN-111162313-A Polymer electrolyte and lithium ion battery 珠海冠宇电池有限公司 2020-05-15 CN disclosed
CN-111146496-A Polymer electrolyte and lithium ion battery containing same 珠海冠宇电池有限公司 2020-05-12 CN disclosed
CN-107011301-B A kind of 2-(2- methoxyphenyl) -5- oxo-tetrahydrofuran -3- carboxylic acid preparation method 山东省联合农药工业有限公司 2019-06-28 CN disclosed
CN-107011301-B A kind of 2-(2- methoxyphenyl) -5- oxo-tetrahydrofuran -3- carboxylic acid preparation method 山东省联合农药工业有限公司 2019-06-28 CN disclosed
CN-108484538-A A kind of synthetic method of the nematicide containing lactonic ring 山东省联合农药工业有限公司 2018-09-04 CN disclosed
CN-107011301-A One kind 2(2 methoxyphenyls)The preparation method of the carboxylic acid of 5 oxo-tetrahydrofuran 3 山东省联合农药工业有限公司 2017-08-04 CN disclosed
US-4895963-A THROMBOXANE A2 ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-23 US disclosed
US-4775685-A THROMBOXANE A-2 ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-04 US disclosed
US-4775684-A 1,3-dioxane ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-04 US disclosed
US-4723037-A THROMBOXANE ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-02-02 US disclosed
EP-0202086-A2 Hexenoic acids IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-11-20 EP disclosed
EP-0201351-A2 1,3-Dioxane ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-11-12 EP disclosed
EP-0201354-A2 2,4-Diphenyl-1,3-Dioxanes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-11-12 EP disclosed
EP-0142323-A2 Process for making erythro-dihydroxyalkenoic acide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-05-22 EP disclosed