SCHEMBL9860583

SCHEMBL9860583

C=CCCCOC(=O)C=CC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.63
ATM Q13315 1/20 0.50
TSHR P16473 5/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.41
ABCC4 O15439 1/20 0.41
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL29220141 1.00 HCAR2 (0.63) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL29220180 0.94 HCAR2 (0.65) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL28338258 0.92 HCAR2 (0.66) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL9860578 0.92 ATM (0.58) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL23797510 0.92 ATM (0.58) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL28879793 0.91 HCAR2 (0.64) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL28948424 0.90 HCAR2 (0.59) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL10917799 0.90 HCAR2 (0.59) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL28135946 0.90 HCAR2 (0.59) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL29220179 0.85 TSHR (0.58) HCAR2ATMTSHRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233299-B1 OPTICAL RESIN AND PROCESS FOR PREPARING THE SAME NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-03-13 EP claimed
US-4855374-A Optical resin from diallyl esters NIPPON OIL AND FATS CO., LTD. (JP) 1989-08-08 US claimed
EP-0233299-A1 Optical resin and process for preparing the same NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-08-26 EP claimed
EP-0233299-B1 OPTICAL RESIN AND PROCESS FOR PREPARING THE SAME NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-03-13 EP disclosed
US-4855374-A Optical resin from diallyl esters NIPPON OIL AND FATS CO., LTD. (JP) 1989-08-08 US disclosed
EP-0233299-A1 Optical resin and process for preparing the same NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-08-26 EP disclosed