SCHEMBL9360427

SCHEMBL9360427

CC(C)=CCC/C(C)=C/CCC1(C)C=Cc2cc(O)ccc2O1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.63
BACE1 P56817 3/20 0.61
NR1H4 Q96RI1 4/20 0.59
PTGS1 P23219 2/20 0.59
PTGS2 P35354 2/20 0.59
XDH P47989 1/20 0.59
ALOX5 P09917 1/20 0.58
PTPN1 P18031 1/20 0.57
TRPA1 O75762 1/20 0.47
LDHA P00338 1/20 0.47
CNR1 P21554 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
CNR2 P34972 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
TRPV3 Q8NET8 1/20 0.47
TRPV4 Q9HBA0 1/20 0.47
TRPV2 Q9Y5S1 1/20 0.47

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
SCHEMBL9356386 1.00 APP (0.63) APPBACE1NR1H4PTGS1PTGS2
SCHEMBL9360432 1.00 APP (0.63) APPBACE1NR1H4PTGS1PTGS2
SCHEMBL9356392 1.00 APP (0.63) APPBACE1NR1H4PTGS1PTGS2
Cordiachromene A SCHEMBL9356402 0.93 PTGS1 (0.68) APPBACE1NR1H4PTGS1PTGS2
Cordiachromene A SCHEMBL16666288 0.93 PTGS1 (0.68) APPBACE1NR1H4PTGS1PTGS2
Cordiachromene A SCHEMBL16666262 0.93 PTGS1 (0.68) APPBACE1NR1H4PTGS1PTGS2
SCHEMBL10536271 0.84 PTGS1 (0.60) APPBACE1NR1H4PTGS1PTGS2
SCHEMBL14212077 0.82 ALOX5 (0.87) APPBACE1NR1H4PTGS1ALOX5
Elaeagin SCHEMBL29754176 0.81 PTGS1 (0.61) APPBACE1NR1H4PTGS1PTGS2
Confluentin SCHEMBL31544928 0.77 APP (1.00) APPBACE1NR1H4PTGS1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304842-A2 Isoprenoid derivatives and anti-ulcer agents containing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-03-01 EP claimed
EP-0304842-B1 Isoprenoid derivatives and anti-ulcer agents containing the same NISSHIN FLOUR MILLING CO (JP) 1994-11-30 EP disclosed
US-4906669-A Isoprenoid derivatives and anti-ulcer agents containing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-03-06 US disclosed
EP-0304842-A2 Isoprenoid derivatives and anti-ulcer agents containing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-03-01 EP disclosed