SCHEMBL31389148

SCHEMBL31389148

CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C=Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.69
NOS3 P29474 5/20 0.69
NOS1 P29475 5/20 0.69
PPARG P37231 1/20 0.58
EED O75530 1/20 0.56
CNR2 P34972 1/20 0.55
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
MMP8 P22894 1/20 0.51
TACR1 P25103 1/20 0.51
EGFR P00533 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.50
TP53 P04637 1/20 0.49

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
SCHEMBL25497374 1.00 NOS2 (0.69) NOS2NOS3NOS1PPARGEED
SCHEMBL25497685 0.91 NOS2 (0.67) NOS2NOS3NOS1PPARGCNR2
SCHEMBL25497905 0.91 NOS2 (0.64) NOS2NOS3NOS1PPARGEED
SCHEMBL29040563 0.90 NOS2 (0.84) NOS2NOS3NOS1PPARGCNR2
SCHEMBL29040561 0.90 NOS2 (0.84) NOS2NOS3NOS1PPARGCNR2
SCHEMBL7663276 0.88 NOS2 (0.54) NOS2NOS3NOS1MMP8TACR1
SCHEMBL25497364 0.86 ALDH1A1 (0.52) NOS2NOS3NOS1PPARGEED
SCHEMBL31389139 0.86 ALDH1A1 (0.52) NOS2NOS3NOS1PPARGEED
SCHEMBL9405478 0.86 NOS2 (0.57) NOS2NOS3NOS1MMP8TACR1
SCHEMBL31389142 0.85 CNR2 (0.73) NOS2NOS3NOS1CNR2ALDH1A1

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