SCHEMBL3185372

SCHEMBL3185372

OCCC(O)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.52
GAA P10253 1/20 0.47
HTR1A P08908 1/20 0.42
DRD4 P21917 3/20 0.42
BRD4 O60885 1/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
DRD2 P14416 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
DRD3 P35462 2/20 0.40
LMNA P02545 2/20 0.40
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL8115632 1.00 AOC3 (0.52) AOC3GAAHTR1ADRD4BRD4
SCHEMBL8113426 1.00 AOC3 (0.52) AOC3GAAHTR1ADRD4BRD4
SCHEMBL3196016 0.88 GAA (0.51) AOC3GAA
SCHEMBL28695977 0.84 AOC3 (0.41) AOC3GAALMNA
SCHEMBL3917589 0.84 AOC3 (0.50) AOC3GAAHTR1ADRD4TSHR
SCHEMBL3917591 0.84 AOC3 (0.50) AOC3GAAHTR1ADRD4TSHR
SCHEMBL5437078 0.83 AOC3 (0.53) AOC3GAABRD4TSHRMAPK1
SCHEMBL4297797 0.83 AOC3 (0.53) AOC3GAABRD4TSHRMAPK1
SCHEMBL1155443 0.83 AOC3 (0.53) AOC3GAABRD4TSHRMAPK1
SCHEMBL13670577 0.82 AOC3 (0.42) AOC3GAAHTR1ADRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113816836-B Enzymatic production method of (S) -1- (4-chlorophenyl) -1, 3-propanediol 山东睿鹰制药集团有限公司 2024-05-03 CN claimed
CN-113816836-A Enzymatic production method of (S) -1- (4-chlorphenyl) -1, 3-propylene glycol 山东寰酶生物制药有限公司 2021-12-21 CN claimed
CN-113816836-B Enzymatic production method of (S) -1- (4-chlorophenyl) -1, 3-propanediol 山东睿鹰制药集团有限公司 2024-05-03 CN disclosed
CN-113816836-B Enzymatic production method of (S) -1- (4-chlorophenyl) -1, 3-propanediol 山东睿鹰制药集团有限公司 2024-05-03 CN disclosed
CN-113816836-B Enzymatic production method of (S) -1- (4-chlorophenyl) -1, 3-propanediol 山东睿鹰制药集团有限公司 2024-05-03 CN disclosed
CN-116676285-A Carbonyl reductase mutant for preparing chiral alcohol compound and application thereof 山东寰酶生物制药有限公司 2023-09-01 CN disclosed
CN-113801859-B Carbonyl reductase mutant for preparing chiral alcohol compound and application thereof 山东睿鹰制药集团有限公司 2023-08-01 CN disclosed
CN-116445436-A Carbonyl reductase mutant for preparing chiral alcohol compound and application thereof 山东寰酶生物制药有限公司 2023-07-18 CN disclosed
CN-113891882-A Method for producing dihydroisoxazole 组合化学工业株式会社 2022-01-04 CN disclosed
CN-113816836-A Enzymatic production method of (S) -1- (4-chlorphenyl) -1, 3-propylene glycol 山东寰酶生物制药有限公司 2021-12-21 CN disclosed
CN-113801859-A Carbonyl reductase mutant for preparing chiral alcohol compound and application thereof 山东寰酶生物制药有限公司 2021-12-17 CN disclosed
US-5750523-A INHIBITING PLATELET AGGREGATION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed
EP-0542300-B1 Method of preparing (S)-1-phenyl-1,3-propanediol or derivatives thereof AJINOMOTO KK (JP) 1997-02-26 EP disclosed
EP-0742211-A1 PYRIDAZINONE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-11-13 EP disclosed
US-5393664-A Using a culture product AJINOMOTO CO. INC. (JP) 1995-02-28 US disclosed
EP-0542300-A2 Method of preparing (S)-1-phenyl-1,3-propanediol or derivatives thereof Ajinomoto Co., Inc. (JP) 1993-05-19 EP disclosed
US-4465516-A Asymmetrical diesters of ortho-phosphoric acid useful as corrosion inhibitors SANDOZ LTD. (CH) 1984-08-14 US disclosed
EP-0039314-B1 USE OF PHOSPHORIC ACID DI-ESTERS AS CORROSION INHIBITORS SANDOZ AG (CH) 1984-07-04 EP disclosed
US-4389259-A ELECTROLYTES SANDOZ LTD. (CH) 1983-06-21 US disclosed
EP-0039314-A1 Use of phosphoric acid di-esters as corrosion inhibitors SANDOZ AG (CH) 1981-11-04 EP disclosed