SCHEMBL9129772

SCHEMBL9129772

CCOC(=O)C1Cc2ccccc2O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.52
CYP4A11 Q02928 1/20 0.52
TSHR P16473 2/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 3/20 0.47
AOC2 O75106 5/20 0.47
MAOA P21397 5/20 0.47
MAOB P27338 5/20 0.47
DAO P14920 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 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
SCHEMBL1519251 0.85 SIGMAR1 (0.45) CYP4F2CYP4A11TSHRHPGDALDH1A1
SCHEMBL7636320 0.85 CYP4F2 (0.67) CYP4F2CYP4A11TSHRHPGDALDH1A1
SCHEMBL9739640 0.85 CYP4F2 (0.67) CYP4F2CYP4A11TSHRHPGDALDH1A1
SCHEMBL5846876 0.83 HPGD (0.54) TSHRHPGDAOC2MAOAMAOB
SCHEMBL5846867 0.83 HPGD (0.54) TSHRHPGDAOC2MAOAMAOB
SCHEMBL3519014 0.83 HPGD (0.54) TSHRHPGDAOC2MAOAMAOB
SCHEMBL11439066 0.83 CYP4F2 (0.51) CYP4F2CYP4A11TSHRALDH1A1SIGMAR1
SCHEMBL20054225 0.82 HPGD (0.48) TSHRHPGDALDH1A1AOC2MAOA
Acetic Acid SCHEMBL20876688 0.82 CYP4F2 (0.62) CYP4F2CYP4A11TSHRHPGDALDH1A1
SCHEMBL3356400 0.81 ALDH1A1 (0.53) TSHRHPGDALDH1A1MAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385931-A Multistage formation of sulfonamides by reaction of esters and acyl halides, nitriding, reduction and sulfonylation to form cardiovascular compounds PIERRE FABRE MEDICAMENT (FR) 1995-01-31 US disclosed
EP-0267794-B1 PROCESS FOR PREPARING POLYOLEFINS Nippon Petrochemicals Co., Ltd. (JP) 1993-05-05 EP disclosed
EP-0267794-A2 Process for preparing polyolefins Nippon Petrochemicals Co., Ltd. (JP) 1988-05-18 EP disclosed
US-4525555-A TITANIUM COMPOUND SUPPORTED ON SOLID REACTION PRODUCT OF MAGNESIUM HALIDE, SILOXANES, ORGANIC COMPOUNDS NIPPON OIL COMPANY, LIMITED (JP) 1985-06-25 US disclosed
US-4330650-A HAVING MAGNESIUM COMPONENTS, TITANIUM COMPONENTS, ORGANOALUMINUM COMPONENTS AND HETEROCYCLIC CARBOXYLIC ESTER ELECTRON DONOR COMPONENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-05-18 US disclosed
US-4255280-A ORGANOMAGNESIUM, CHLOROSILANE, TITANIUM, ORGANOMETALLIC AND HETEROCYCLIC ESTER COMPONENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1981-03-10 US disclosed