SCHEMBL8795384

SCHEMBL8795384

O=C(O)C1CCOc2c(Cl)cc(Cl)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.42
MEN1 O00255 1/20 0.37
PLA2G1B P04054 1/20 0.37
POLB P06746 1/20 0.37
NR4A1 P22736 1/20 0.37
PTPN7 P35236 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37

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
SCHEMBL5158063 0.85 PTGDR2 (0.39) PTGDR2
SCHEMBL11465683 0.81 PTGDR2 (0.43) PTGDR2
SCHEMBL20480108 0.79 ADRA2A (0.47) PTGDR2TDP1
SCHEMBL8794695 0.79 KDM4E (0.39) MEN1KMT2A
SCHEMBL27833962 0.77 PTGDR2 (0.47) PTGDR2
SCHEMBL11164856 0.77 PTGDR2 (0.42) PTGDR2
SCHEMBL1846189 0.75 MAP3K14 (0.50) PTGDR2
SCHEMBL23505839 0.75 SLC2A1 (0.37)
SCHEMBL5161004 0.74 PTGDR2 (0.51) PTGDR2
SCHEMBL570931 0.73 SLC2A1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0011426-A1 Halogen-substituted benzopyran- and benzothiopyran-4-carboxylic acids, their preparation and pharmaceutical compositions containing the same PFIZER INC. (US) 1980-05-28 EP claimed
US-5696050-A APPLYING TO CROP PLANT, SEED OR SURROUNDING SOIL OR WATER ANTIDOTAL AMOUNT OF PLANT SAFENING AGENT AMERICAN CYANAMID COMPANY (US) 1997-12-09 US disclosed
EP-0613618-B1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID CO (US) 1997-04-16 EP disclosed
US-5516918-A PLANT SAFTENING AGENTS USING BENZOPYRAN-4-ACETIC ACIDS OR BENZOTHIOPYRAN-4-ACETIC ACIDS AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed
US-5407897-A Plant safening agents AMERICAN CYANAMID COMPANY (US) 1995-04-18 US disclosed
EP-0613618-A1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID COMPANY (US) 1994-09-07 EP disclosed
US-4210663-A ALDOSE REDUCTASE INHIBITORS; TREATMENT OF DIABETIC CATARACTS, NEUROPATHY OR RETINOPATHY PFIZER INC. (US) 1980-07-01 US disclosed
US-4210663-A ALDOSE REDUCTASE INHIBITORS; TREATMENT OF DIABETIC CATARACTS, NEUROPATHY OR RETINOPATHY PFIZER INC. (US) 1980-07-01 US disclosed
EP-0011426-A1 Halogen-substituted benzopyran- and benzothiopyran-4-carboxylic acids, their preparation and pharmaceutical compositions containing the same PFIZER INC. (US) 1980-05-28 EP disclosed