SCHEMBL9709370

SCHEMBL9709370

CC(C)C(OC(=O)C=CC(=O)O)C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.61
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34

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
SCHEMBL9709365 1.00 HCAR2 (0.61) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL9709357 0.92 HCAR2 (0.46) HCAR2KEAP1NFE2L2
SCHEMBL1321968 0.85 HCAR2 (0.57) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL1321970 0.85 HCAR2 (0.57) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL17136023 0.82 HCAR2 (0.48) HCAR2ALDH1A1TSHRTP53EGLN1
SCHEMBL17136022 0.82 HCAR2 (0.48) HCAR2ALDH1A1TSHRTP53EGLN1
SCHEMBL9709229 0.82 HCAR2 (0.63) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL9709221 0.82 HCAR2 (0.63) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL10457743 0.80 HCAR2 (0.52) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL10457739 0.80 HCAR2 (0.52) HCAR2ALDH1A1GAATSHRTP53

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 10 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