SCHEMBL8316648

SCHEMBL8316648

Cc1ccc(OC(=O)C(=O)Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 2/20 0.47
EPHX2 P34913 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
CTBP2 P56545 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
SCHEMBL8311407 0.88 CES2 (0.61) CES2CES1CNR2L3MBTL1KMT2A
SCHEMBL29007533 0.85 FNTA (0.65) CES2CES1L3MBTL1LMNAGAA
SCHEMBL789755 0.83 SMN1; SMN2 (0.60) CNR1CNR2L3MBTL1TDP1KMT2A
SCHEMBL11563871 0.80 LMNA (0.59) CES2CES1L3MBTL1KMT2ALMNA
SCHEMBL28116754 0.80 HTT (0.52) L3MBTL1KMT2ALMNAGAASMN1; SMN2
SCHEMBL14367096 0.80 MAOB (0.53) CES2CES1KMT2ALMNASMN1; SMN2
Phenylacetic Acid SCHEMBL27672920 0.79 LMNA (0.65) CNR1CNR2L3MBTL1TDP1KMT2A
SCHEMBL7640279 0.79 ALDH1A1 (0.54) CES2CES1L3MBTL1TDP1KMT2A
SCHEMBL7695930 0.78 EPHX2 (0.47) CNR1CNR2L3MBTL1TDP1KMT2A
SCHEMBL339795 0.76 CES1 (0.67) CES2CES1CNR2L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4980464-A Method for production of cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-12-25 US disclosed
US-4946837-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-08-07 US disclosed
US-4912214-A Containing azelidin-2-one ring HOFFMAN-LA ROCHE INC. (US) 1990-03-27 US disclosed
EP-0093376-B1 1-SULFO-2-AZETIDINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-03-21 EP disclosed
US-4839351-A Antibacterial compounds, and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed
US-4831130-A β-lactam antibacterial agents HOFFMANN-LA ROCHE INC. (US) 1989-05-16 US disclosed
US-4826834-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-05-02 US disclosed
EP-0135194-A1 Azetidinones and their production Takeda Chemical Industries, Ltd. (JP) 1985-03-27 EP disclosed
EP-0021678-B1 1-SULPHO-2-OXOAZETIDINE DERIVATIVES, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREOF Takeda Chemical Industries, Ltd. (JP) 1984-11-07 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-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-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