SCHEMBL9709099

SCHEMBL9709099

CCCC(OC(=O)/C=C/C(=O)OC(CCC)C(C)(C)C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.38
ATM Q13315 1/20 0.38
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL9709102 0.93 HCAR2 (0.50) HCAR2ATMCHRM1AKR1A1CHRM3
SCHEMBL9709112 0.93 HCAR2 (0.50) HCAR2ATMCHRM1AKR1A1CHRM3
SCHEMBL3715866 0.85 HCAR2 (0.42) HCAR2ATMCA2
SCHEMBL3715862 0.85 HCAR2 (0.42) HCAR2ATMCA2
SCHEMBL23494171 0.84 TSHR (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9709336 0.83 HCAR2 (0.40) HCAR2ATMTSHRKEAP1NFE2L2
SCHEMBL14991418 0.83 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11451048 0.81 CHRM1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1682656 0.81 TSHR (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL29652036 0.79 LMNA (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244835-B1 LANGMUIR-BLODGETT ULTRATHIN MEMBRANE OF POLYFUMURATE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-08-26 EP claimed
EP-0192997-B1 METHOD FOR MODIFYING POLYFUMARIC ACID DIESTER NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-04-29 EP claimed
US-4907038-A Langmuir Blodgett ultrathin membrane of polyfumarate NIPPON OIL AND FATS CO., LTD. (JP) 1990-03-06 US claimed
EP-0244835-A2 Langmuir-Blodgett ultrathin membrane of polyfumurate NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-11-11 EP claimed
EP-0192997-A2 Method for modifying polyfumaric acid diester NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1986-09-03 EP claimed
EP-0244835-B1 LANGMUIR-BLODGETT ULTRATHIN MEMBRANE OF POLYFUMURATE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-08-26 EP disclosed
EP-0192997-B1 METHOD FOR MODIFYING POLYFUMARIC ACID DIESTER NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-04-29 EP disclosed
US-4907038-A Langmuir Blodgett ultrathin membrane of polyfumarate NIPPON OIL AND FATS CO., LTD. (JP) 1990-03-06 US disclosed
EP-0244835-A2 Langmuir-Blodgett ultrathin membrane of polyfumurate NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-11-11 EP disclosed
US-4670520-A HEATING NIPPON OIL & FAT CO., LTD. (JP) 1987-06-02 US disclosed
EP-0192997-A2 Method for modifying polyfumaric acid diester NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1986-09-03 EP disclosed