SCHEMBL30666142

SCHEMBL30666142

CCC(CC)NC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.63
TAS1R1 Q7RTX1 7/20 0.63
HDAC3 O15379 1/20 0.56
HDAC2 Q92769 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 2/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PTPN7 P35236 1/20 0.54
DUSP3 P51452 1/20 0.54
HPGD P15428 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 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
SCHEMBL17822649 1.00 TAS1R3 (0.63) TAS1R3TAS1R1HDAC3HDAC2ALDH1A1
SCHEMBL703421 0.88 TAS1R3 (0.80) TAS1R3TAS1R1HDAC3HDAC2
SCHEMBL704707 0.88 TAS1R3 (0.80) TAS1R3TAS1R1HTTSMN1; SMN2
SCHEMBL704558 0.87 TAS1R3 (0.70) TAS1R3TAS1R1ALDH1A1LMNAHTT
SCHEMBL3284931 0.86 TAS1R3 (0.55) TAS1R3TAS1R1LMNAHTTTSHR
SCHEMBL13761341 0.83 ALDH1A1 (0.68) TAS1R3TAS1R1ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL9638417 0.82 ALDH1A1 (0.66) TAS1R3TAS1R1ALDH1A1LMNACYP1A2
SCHEMBL708469 0.80 TAS1R3 (0.90) TAS1R3TAS1R1
SCHEMBL31389146 0.80 TAS1R3 (0.63) TAS1R3TAS1R1HDAC3HDAC2ALDH1A1
SCHEMBL26148924 0.80 TAS1R3 (0.63) TAS1R3TAS1R1HDAC3HDAC2ALDH1A1

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
CN-117137048-A Flavor composition, food comprising the same, and method for increasing the flavor intensity of the umami taste of food 马斯公司 2023-12-01 CN claimed