Cordiachromene A

Cordiachromene A

SCHEMBL16666262

CC(C)=CCC[C@@]1(C)C=Cc2cc(O)ccc2O1

nearest known ligand 0.68

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.68
PTGS2 P35354 1/20 0.68
XDH P47989 1/20 0.68
ALOX5 P09917 1/20 0.65
SLC6A2 P23975 2/20 0.53
TRPA1 O75762 1/20 0.53
LDHA P00338 1/20 0.53
CNR1 P21554 1/20 0.53
SLC6A4 P31645 1/20 0.53
CNR2 P34972 1/20 0.53
SLC6A3 Q01959 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
TRPV3 Q8NET8 1/20 0.53
TRPV4 Q9HBA0 1/20 0.53
TRPV2 Q9Y5S1 1/20 0.53
APP P05067 2/20 0.52
BACE1 P56817 3/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51

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
Cordiachromene A SCHEMBL9356402 1.00 PTGS1 (0.68) PTGS1PTGS2XDHALOX5SLC6A2
Cordiachromene A SCHEMBL16666288 1.00 PTGS1 (0.68) PTGS1PTGS2XDHALOX5SLC6A2
SCHEMBL9360427 0.93 APP (0.63) PTGS1PTGS2XDHALOX5SLC6A2
SCHEMBL9360432 0.93 APP (0.63) PTGS1PTGS2XDHALOX5SLC6A2
SCHEMBL9356392 0.93 APP (0.63) PTGS1PTGS2XDHALOX5SLC6A2
SCHEMBL9356386 0.93 APP (0.63) PTGS1PTGS2XDHALOX5SLC6A2
SCHEMBL10536271 0.91 PTGS1 (0.60) PTGS1PTGS2XDHALOX5SLC6A2
Elaeagin SCHEMBL29754176 0.87 PTGS1 (0.61) PTGS1PTGS2XDHALOX5SLC6A2
SCHEMBL14283918 0.82 ALOX5 (0.62) PTGS1ALOX5SLC6A2TRPA1LDHA
Daedalin A SCHEMBL29983386 0.81 PTGS1 (1.00) PTGS1PTGS2XDHALOX5BACE1

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-2865677-B1 Synthesis of chromane compounds and their derivatives by a copper-catalyzed conjugate addition reaction DSM IP ASSETS BV (NL) 2016-11-23 EP disclosed
WO-2015059129-A1 SYNTHESIS OF CHROMANE COMPOUNDS AND THEIR DERIVATIVES BY A COPPER-CATALYZED CONJUGATE ADDITION REACTION DSM IP ASSETS B.V. (NL) 2015-04-30 WO disclosed
EP-2865677-A1 Synthesis of chromane compounds and their derivatives by a copper-catalyzed conjugate addition reaction DSM IP Assets B.V. (NL) 2015-04-29 EP disclosed