SCHEMBL5320329

SCHEMBL5320329

COC(=O)C(CC(C)C)Nc1ccc(OC)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
TAS1R3 Q7RTX0 5/20 0.51
TAS1R1 Q7RTX1 5/20 0.51
ALDH1A1 P00352 6/20 0.51
LMNA P02545 4/20 0.51
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MCL1 Q07820 1/20 0.50
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
POLB P06746 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
SCHEMBL5320324 1.00 HPGD (0.54) HPGDTAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL5323145 0.84 TAS1R3 (0.51) TAS1R3TAS1R1LMNAHTTSMN1; SMN2
SCHEMBL5323140 0.84 TAS1R3 (0.51) TAS1R3TAS1R1LMNAHTTSMN1; SMN2
SCHEMBL701392 0.80 TAS1R3 (0.76) TAS1R3TAS1R1
SCHEMBL701391 0.80 TAS1R3 (0.76) TAS1R3TAS1R1
SCHEMBL27388963 0.79 TAS1R3 (0.54) HPGDTAS1R3TAS1R1ALDH1A1SMN1; SMN2
SCHEMBL4413482 0.77 SMN1; SMN2 (0.53) HPGDLMNATDP1HTTSMN1; SMN2
SCHEMBL4413478 0.77 SMN1; SMN2 (0.53) HPGDLMNATDP1HTTSMN1; SMN2
SCHEMBL27497674 0.76 ALDH1A1 (0.63) HPGDALDH1A1LMNAMAPTNPSR1
SCHEMBL1824758 0.76 NOS3 (0.57) TAS1R3TAS1R1ALDH1A1LMNAMAPT

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
EP-1848289-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS Senomyx, Inc. (US) 2007-10-31 EP disclosed
WO-2006084246-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS SENOMYX, INC. (US) 2006-08-10 WO disclosed