SCHEMBL6449183

SCHEMBL6449183

C=CCOC(=O)C(=O)OCCCCC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.58
HPGD P15428 1/20 0.50
NAAA Q02083 1/20 0.47
HCAR2 Q8TDS4 2/20 0.46
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX1 P07099 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
FAAH O00519 1/20 0.40
LMNA P02545 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL31069706 0.98 TSHR (0.61) TSHRHPGDNAAAHCAR2RAD52
SCHEMBL2352256 0.98 TSHR (0.61) TSHRHPGDNAAAHCAR2RAD52
SCHEMBL2158706 0.98 TSHR (0.61) TSHRHPGDNAAAHCAR2RAD52
SCHEMBL27377604 0.93 TSHR (0.54) TSHRHPGDNAAAHCAR2RAD52
SCHEMBL15130313 0.90 TSHR (0.74) TSHRHPGDNAAAHCAR2RAD52
SCHEMBL930891 0.88 TSHR (0.77) TSHRHPGDNAAAHCAR2RAD52
SCHEMBL9788553 0.88 TSHR (0.77) TSHRHPGDNAAAHCAR2RAD52
SCHEMBL6274691 0.87 TSHR (0.53) TSHRHPGDNAAAHCAR2RAD52
SCHEMBL9718041 0.86 TSHR (0.48) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL9245159 0.85 TSHR (0.58) TSHRHPGDNAAAHCAR2RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11152252-A None JP disclosed
JP-10158216-A None JP disclosed
JP-9221451-A None JP disclosed
CN-112105335-B Cosmetic composition 花王股份有限公司 2023-05-05 CN disclosed
CN-112105335-A Cosmetic composition 花王股份有限公司 2020-12-18 CN disclosed
EP-1081174-B1 PROCESS FOR PRODUCING POLYCARBONATE UBE INDUSTRIES (JP) 2005-05-11 EP disclosed
US-6740729-B1 PHOSGENE FREE; REDUCING AMOUNT OF AMINE BYPRODUCT PRODUCED DURING CATALYTIC SYNTHESIS OF DIARYL CARBONATE POLYMERIZATION REACTANT UBE INDUSTRIES, LTD. (JP) 2004-05-25 US disclosed
EP-1013633-B1 Process for producing a diaryl carbonate UBE INDUSTRIES (JP) 2003-05-28 EP disclosed
US-6407229-B1 ENZYME INHIBITOR SANOCHEMIA PHARMAZEUTIKA AG (AT) 2002-06-18 US disclosed
US-6369238-B1 ENZYME INHIBITORS USED IN THE TREATMENT OF ALZHEIMER'S DISEASE SANOCHEMIA PHARMAZEUTICA (AT) 2002-04-09 US disclosed
EP-1081174-A1 PROCESS FOR PRODUCING POLYCARBONATE Ube Industries, Ltd. (JP) 2001-03-07 EP disclosed
EP-1013633-A1 Process for producing a diaryl carbonate Ube Industries, Ltd. (JP) 2000-06-28 EP disclosed
US-6043359-A REACTING A BENZALDEHYDE DERIVATIVE WITH A BENZENE ETHYLAMINE DERIVATIVE TO FORM A SCHIFF BASE, REDUCING THE SCHIFF BASE TO PRODUCE AN INTERMEDIATE, OXIDATIVELY CYCLYZATION, THEN STEREOSELECTIVE REDUCTION FORMS END PRODUCT SANOCHEMIA PHARMAZEUTICA AKTIENGESELLSCHAFT (AT) 2000-03-28 US disclosed
JP-H11152252-A PRODUCTION OF DIARYL CARBONATE UBE IND LTD 1999-06-08 JP disclosed
US-5811573-A Process for producing a diaryl carnonate UBE INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
JP-H10158216-A CONTINUOUS PRODUCTION OF OXALIC ACID ARYL ESTER UBE IND LTD 1998-06-16 JP disclosed
US-5731453-A Process for producing a diaryl carbonate UBE INDUSTRIES, LTD. (JP) 1998-03-24 US disclosed
EP-0795539-A1 Process for producing a diaryl carbonate UBE INDUSTRIES LIMITED (JP) 1997-09-17 EP disclosed
JP-H09221451-A PRODUCTION OF DIARYL OXALATE UBE IND LTD 1997-08-26 JP disclosed
EP-0469847-A2 Dishwasher detergent composition Diversey Corporation (CA) 1992-02-05 EP disclosed