SCHEMBL31389138

SCHEMBL31389138

CCOc1ccc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.74
NOS3 P29474 5/20 0.74
NOS1 P29475 5/20 0.74
RAB9A P51151 2/20 0.67
GAA P10253 1/20 0.67
PPARG P37231 1/20 0.63
CNR2 P34972 1/20 0.62
TAS1R3 Q7RTX0 4/20 0.59
TAS1R1 Q7RTX1 4/20 0.59
EGFR P00533 1/20 0.56
EED O75530 1/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL25497905 0.93 NOS2 (0.64) NOS2NOS3NOS1RAB9AGAA
SCHEMBL25497559 0.90 NOS2 (0.79) NOS2NOS3NOS1GAAPPARG
SCHEMBL29040561 0.88 NOS2 (0.84) NOS2NOS3NOS1PPARGCNR2
SCHEMBL29040563 0.88 NOS2 (0.84) NOS2NOS3NOS1PPARGCNR2
SCHEMBL5947284 0.88 NOS2 (0.72) NOS2NOS3NOS1PPARGCNR2
SCHEMBL5947288 0.88 NOS2 (0.72) NOS2NOS3NOS1PPARGCNR2
SCHEMBL5947280 0.88 NOS2 (0.72) NOS2NOS3NOS1PPARGCNR2
SCHEMBL25497685 0.87 NOS2 (0.67) NOS2NOS3NOS1GAAPPARG
SCHEMBL28610365 0.86 NOS2 (0.80) NOS2NOS3NOS1PPARGCNR2
SCHEMBL5365625 0.86 NOS2 (0.80) NOS2NOS3NOS1PPARGCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250024871-A1 AMIDE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH INCORPORATED (US) 2025-01-23 US disclosed