SCHEMBL7792126

SCHEMBL7792126

CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)OCC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.69
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.46
TTR P02766 1/20 0.45
DPP4 P27487 1/20 0.45
NPSR1 Q6W5P4 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP3A4 P08684 1/20 0.39
PPARA Q07869 1/20 0.39
GABRR1 P24046 2/20 0.38
GABRR2 P28476 2/20 0.38
BLM P54132 2/20 0.38
GABRR3 A8MPY1 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 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
SCHEMBL118130 1.00 HCAR2 (0.69) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL17107810 1.00 HCAR2 (0.69) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL29260683 1.00 HCAR2 (0.69) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL1503638 1.00 HCAR2 (0.69) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL94678 0.91
SCHEMBL264771 0.91
SCHEMBL691584 0.91
Methylamine SCHEMBL11805854 0.87 HCAR2 (0.56) HCAR2MAPTALDH1A1TTRDPP4
(2E)-Hexenoic Acid SCHEMBL28617152 0.86 HCAR2 (0.67) HCAR2MAPTALDH1A1TTRDPP4
(2E)-Hexenoic Acid SCHEMBL451892 0.86 HCAR2 (0.67) HCAR2MAPTALDH1A1TTRDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0704211-B1 Preventive or alleviating agent for medical symptoms caused by delayed allergy reactions SUNTORY LTD (JP) 2001-11-21 EP disclosed
US-5981588-A ADMINISTERING TO A PATIENT AN OMEGA 9-UNSATURATED FATTY ACID HAVING AT LEAST TWO DOUBLE BONDS IN AN AMOUNT EFFECTIVE FOR PREVENTING OR ALLEVIATING MEDICAL SYMPTOMS CAUSED BY DELAYED ALLERGY REACTION SUNTORY LIMITED (JP) 1999-11-09 US disclosed
EP-0704211-A2 Preventive or alleviating agent for medical symptoms caused by delayed allergy reactions SUNTORY LIMITED (JP) 1996-04-03 EP disclosed