SCHEMBL8311407

SCHEMBL8311407

O=C(Cc1ccccc1)C(=O)Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.61
CES1 P23141 2/20 0.61
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
CYP19A1 P11511 1/20 0.51
AKR1B1 P15121 1/20 0.50
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTBP2 P56545 1/20 0.46
GAA P10253 3/20 0.45
PAM P19021 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 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
SCHEMBL29007533 0.89 FNTA (0.65) CES2CES1FNTAFNTBCYP19A1
SCHEMBL8316648 0.88 CES2 (0.52) CES2CES1FNTAFNTBCNR2
SCHEMBL14367096 0.84 MAOB (0.53) CES2CES1FNTAFNTBALDH1A1
SCHEMBL28116754 0.84 HTT (0.52) ALDH1A1L3MBTL1GAAKMT2AMEN1
SCHEMBL5691685 0.82 CES1 (0.64) CES2CES1FNTAFNTBAKR1B1
SCHEMBL11106093 0.81 KEAP1 (0.53) ALDH1A1MAPK1KMT2AHDAC8HDAC6
SCHEMBL7693742 0.81 CYP19A1 (0.49) CES2CES1CYP19A1AKR1B1ALDH1A1
SCHEMBL538524 0.79 CYP19A1 (0.76) CES2CES1CYP19A1AKR1B1ALDH1A1
SCHEMBL339795 0.79 CES1 (0.67) CES2CES1FNTAFNTBAKR1B1
SCHEMBL58882 0.79 TDP1 (0.44) CES2CES1CYP19A1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118360265-A Diaminopimelate dehydrogenase mutant and application thereof in D-amino acid synthesis 华东理工大学 2024-07-19 CN disclosed
CN-116200359-A Transaminase mutant and application thereof 迪嘉药业集团股份有限公司 2023-06-02 CN disclosed
CN-116004562-A Transaminase mutant and application thereof 迪嘉药业集团股份有限公司 2023-04-25 CN disclosed
WO-2020223102-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS CODEXIS, INC. (US) 2020-11-05 WO disclosed
CN-106279250-B A kind of stannous phenide complex and its preparation method and application 衡阳师范学院 2018-11-27 CN disclosed
CN-105541898-B A kind of phenylpropionic acid benzoyl hydrazone two of 2 carbonyl 3 is to methyl-benzyl tin complex and its preparation method and application 衡阳师范学院 2018-02-09 CN disclosed
CN-106279250-A A kind of 2 carbonyl 3 phenylpropionic acid para hydroxybenzene formyl hydrazone stannous phenide coordination compounds and its preparation method and application 衡阳师范学院 2017-01-04 CN disclosed
EP-0093376-B2 1-Sulfo-2-azetidinone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-04-07 EP disclosed
EP-0225634-B1 Antibacterial compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-04-06 EP disclosed
EP-0234549-B1 METHOD FOR PRODUCTION OF CEPHALOSPORIN COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 1992-12-16 EP disclosed
EP-0095764-A2 2-Oxoazetidinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-12-07 EP disclosed
US-4416817-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-11-22 US disclosed
EP-0093376-A2 1-Sulfo-2-azetidinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-11-09 EP disclosed
EP-0074611-A2 Method for production of cephalosporin compounds Takeda Chemical Industries, Ltd. (JP) 1983-03-23 EP disclosed
EP-0053815-A1 2-Oxoazetidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-16 EP disclosed
EP-0053816-A1 1-Sulfo-2-oxoazetidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-16 EP disclosed
EP-0053387-A1 Method of preparing 1-sulfo-2-oxoazetidine derivatives and intermediates therefor Takeda Chemical Industries, Ltd. (JP) 1982-06-09 EP disclosed
EP-0050965-A1 Beta-lactamase inhibitory composition Takeda Chemical Industries, Ltd. (JP) 1982-05-05 EP disclosed
EP-0021676-A1 3-Methoxy-2-oxoazetidine derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1981-01-07 EP disclosed
EP-0021678-A1 1-Sulpho-2-oxoazetidine derivatives, their production and pharmaceutical compositions thereof Takeda Chemical Industries, Ltd. (JP) 1981-01-07 EP disclosed