SCHEMBL28043790

SCHEMBL28043790

C[CH]NCc1ccc(OC)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.69
HTR2A P28223 2/20 0.50
TSHR P16473 2/20 0.50
HTR2C P28335 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL712690 0.85 APLNR (0.72) APLNRHTR2ATSHRHTR2CHDAC3
SCHEMBL23378102 0.85 APLNR (0.67) APLNRHTR2ATSHRHTR2CCA12
SCHEMBL783785 0.82 APLNR (1.00) APLNRHTR2ATSHRHTR2CCA12
SCHEMBL29485595 0.80 APLNR (0.76) APLNRHTR2ATSHRHTR2CCA12
SCHEMBL933063 0.80 APLNR (0.76) APLNRHTR2ATSHRHTR2CCA12
SCHEMBL680457 0.80 APLNR (0.76) APLNRHTR2ATSHRHTR2CCA12
SCHEMBL5543280 0.80 APLNR (0.59) APLNRHTR2ATSHRHTR2CNPC1
SCHEMBL2108622 0.79 APLNR (0.73) APLNRHTR2ATSHRHTR2CHDAC3
SCHEMBL19437111 0.79 APLNR (0.73) APLNRHTR2ATSHRHTR2CCA12
Hydrochloric Acid SCHEMBL30718133 0.79 APLNR (0.73) APLNRHTR2ATSHRHTR2CCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105152940-A Comestible compositions comprising high potency savory flavorants, and processes for producing them SENOMYX INC 2015-12-16 CN claimed
CN-105152940-A Comestible compositions comprising high potency savory flavorants, and processes for producing them SENOMYX INC 2015-12-16 CN disclosed