SCHEMBL17835186

SCHEMBL17835186

O=Nc1ccc(C[C@H](NCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.61
MME P08473 4/20 0.49
ALDH1A1 P00352 1/20 0.49
PSMB5 P28074 1/20 0.45
MEP1B Q16820 2/20 0.45
ACE P12821 2/20 0.45
CPA1 P15085 2/20 0.45
ACE2 Q9BYF1 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
PPARG P37231 1/20 0.44
PTPN1 P18031 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.43
ANPEP P15144 1/20 0.43

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
SCHEMBL17833334 0.89 FPR2 (0.52) FPR2MMEALDH1A1PSMB5MEP1B
SCHEMBL11581853 0.87 MME (0.56) MMEALDH1A1PSMB5MEP1BNPSR1
SCHEMBL73955 0.87 MME (0.56) MMEALDH1A1PSMB5MEP1BNPSR1
SCHEMBL497336 0.87 MME (0.56) MMEALDH1A1PSMB5MEP1BNPSR1
Hydrochloric Acid SCHEMBL7362927 0.86 MME (0.54) MMEALDH1A1PSMB5MEP1BNPSR1
Hydrochloric Acid SCHEMBL1027766 0.86 MME (0.54) MMEALDH1A1PSMB5MEP1BNPSR1
SCHEMBL17915462 0.84 MME (0.61) MMEALDH1A1ACECPA1ACE2
SCHEMBL121371 0.83 MME (0.58) MMEALDH1A1PSMB5ACENAALAD2
SCHEMBL11346818 0.83 MME (0.58) MMEALDH1A1PSMB5ACENAALAD2
SCHEMBL6065430 0.83 MME (0.58) MMEALDH1A1PSMB5ACENAALAD2

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
WO-2016094690-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2016-06-16 WO disclosed