SCHEMBL31389141

SCHEMBL31389141

COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.63
GAA P10253 1/20 0.63
ALDH1A1 P00352 3/20 0.59
NPC1 O15118 1/20 0.58
ROCK2 O75116 2/20 0.58
ROCK1 Q13464 2/20 0.58
HCRTR2 O43614 2/20 0.56
LMNA P02545 2/20 0.56
GLA P06280 1/20 0.56
LNPEP Q9UIQ6 1/20 0.56
FPR2 P25090 1/20 0.56
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TAS1R3 Q7RTX0 2/20 0.55
TAS1R1 Q7RTX1 2/20 0.55
TSHR P16473 1/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL28607027 1.00 RAB9A (0.63) RAB9AGAAALDH1A1NPC1ROCK2
SCHEMBL26148922 1.00 RAB9A (0.63) RAB9AGAAALDH1A1NPC1ROCK2
SCHEMBL10465688 0.88 ACE (0.57) RAB9AGAAALDH1A1HCRTR2LMNA
SCHEMBL13525006 0.85 GAA (0.70) RAB9AGAAALDH1A1LMNAGLA
SCHEMBL31206887 0.84 GAA (0.76) RAB9AGAAALDH1A1LMNAGLA
SCHEMBL1793176 0.84 GAA (0.76) RAB9AGAAALDH1A1LMNAGLA
SCHEMBL2461492 0.84 GAA (0.76) RAB9AGAAALDH1A1LMNAGLA
SCHEMBL31389149 0.84 GAA (0.65) RAB9AGAAALDH1A1LMNAGLA
SCHEMBL31389127 0.84 GAA (0.65) RAB9AGAAALDH1A1LMNAGLA
SCHEMBL26148897 0.84 GAA (0.65) RAB9AGAAALDH1A1LMNAGLA

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