SCHEMBL6909094

SCHEMBL6909094

CC(C)COC(=O)c1ccc2ccccc2c1C(=O)OCC(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
TSHR P16473 1/20 0.61
KDM4E B2RXH2 3/20 0.51
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CDC25B P30305 2/20 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
SCHEMBL28396558 0.92 ALDH1A1 (0.54) ALDH1A1TSHRKDM4EADRB2ADRB1
SCHEMBL6909098 0.92 ALDH1A1 (0.58) ALDH1A1TSHRKDM4EADRB2ADRB1
SCHEMBL162635 0.85 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EADRB2ADRB1
SCHEMBL2738455 0.83 ALDH1A1 (0.57) ALDH1A1TSHRKDM4EADRB2ADRB1
SCHEMBL560585 0.83 CDC25B (0.61) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL29856064 0.83 CDC25B (0.61) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL8028141 0.83 ALDH1A1 (0.72) ALDH1A1TSHRKDM4EADRB2ADRB1
SCHEMBL17502627 0.83 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL8769592 0.83 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EADRB2ADRB1
SCHEMBL28400379 0.82 ALDH1A1 (0.62) ALDH1A1TSHRKDM4ETDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032603-B Iron-catalyzed transesterification hydrogenation of esters to alcohols 伊士曼化工公司 2023-07-25 CN disclosed
CN-111032603-A Iron-catalyzed transfer hydrogenation of esters to alcohols 伊士曼化工公司 2020-04-17 CN disclosed
EP-0918068-B1 POLYPROPYLENE COMPOSITION, PROCESS FOR PREPARING THE SAME, AND POLYMERIZATION CATALYST THEREFOR CHISSO CORP (JP) 2004-12-22 EP disclosed
EP-0976785-B1 POLYPROPYLENE COMPOSITION AND PROCESS FOR PRODUCING THE SAME CHISSO CORP (JP) 2003-08-20 EP disclosed
EP-1002013-B1 OLEFIN (CO)POLYMER COMPOSITION CHISSO CORP (JP) 2003-04-16 EP disclosed
US-6531551-B2 Radiation transparent; rigidity CHISSO CORPORATION (JP) 2003-03-11 US disclosed
US-6444736-B1 MIXTURE; USING COORDINATION CATALYST CHISSO CORPORATION (JP) 2002-09-03 US disclosed
EP-0856526-B1 OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PRODUCING THE SAME, CATALYST FOR (CO)POLYMERIZING OLEFIN, AND PROCESS FOR PRODUCING THE SAME CHISSO CORP (JP) 2002-08-28 EP disclosed
US-6437048-B1 Molded resin articles CHISSO CORPORATION (JP) 2002-08-20 US disclosed
US-6350895-B1 REACTION OF DIALKYL ESTER WITH 1,3-PROPANEDIOL E. I. DU PONT DE NEMOURS AND COMPANY 2002-02-26 US disclosed
WO-1999007783-A1 OLEFIN (CO)POLYMER COMPOSITION CHISSO CORPORATION (JP) 1999-02-18 WO disclosed
EP-0870804-A1 Olefin (co)polymer composition CHISSO CORPORATION (JP) 1998-10-14 EP disclosed
EP-0864589-A2 MOLDED RESIN ARTICLES CHISSO CORPORATION (JP) 1998-09-16 EP disclosed
EP-0856526-A1 OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PRODUCING THE SAME, CATALYST FOR (CO)POLYMERIZING OLEFIN, AND PROCESS FOR PRODUCING THE SAME CHISSO CORPORATION (JP) 1998-08-05 EP disclosed
EP-0263718-B1 LOW-CRYSTALLINE PROPYLENE RANDOM COPOLYMER COMPOSITION, PROCESS FOR PRODUCTION THEREOF, AND COMPOSITE LAMINATED POLYPROPYLENE STRUCTURE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-04-22 EP disclosed
US-4931526-A α-olefinic random copolymer and production process thereof MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-06-05 US disclosed
US-4894421-A HEAT SEALING MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-01-16 US disclosed
EP-0317240-A1 Alpha-olefinic random copolymer and production process thereof MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-05-24 EP disclosed
US-4822840-A WITH ETHYLENE AND ALPHA-OLEFINS; FOR HEAT SEALABLE FILMS; TRANSPARENT, ANTI-BLOCKING MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
EP-0263718-A2 Low-crystalline propylene random copolymer composition, process for production thereof, and composite laminated polypropylene structure MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-04-13 EP disclosed