SCHEMBL17833228

SCHEMBL17833228

CC(C)C[C@@H](NCc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.57
MME P08473 2/20 0.56
ANPEP P15144 1/20 0.56
LTA4H P09960 1/20 0.54
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.51
CTSK P43235 1/20 0.51
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
ACE P12821 1/20 0.50
SIGMAR1 Q99720 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
SCHEMBL3451636 1.00 PSMB5 (0.57) PSMB5MMEANPEPLTA4HALDH1A1
SCHEMBL3451593 1.00 PSMB5 (0.57) PSMB5MMEANPEPLTA4HALDH1A1
Hydrochloric Acid SCHEMBL9697985 0.98 PSMB5 (0.56) PSMB5MMEANPEPLTA4HALDH1A1
Hydrochloric Acid SCHEMBL9696963 0.98 PSMB5 (0.56) PSMB5MMEANPEPLTA4HALDH1A1
SCHEMBL5172068 0.92 MME (0.56) PSMB5MMEANPEPALDH1A1LMNA
SCHEMBL1792750 0.87 PSMB5 (0.54) PSMB5MMEANPEPLTA4HALDH1A1
SCHEMBL1792753 0.87 PSMB5 (0.54) PSMB5MMEANPEPLTA4HALDH1A1
SCHEMBL7375902 0.85 FNTA (0.53) PSMB5MMEANPEPALDH1A1LMNA
SCHEMBL19975277 0.85 ATM (0.54) PSMB5ANPEPALDH1A1CTSKMEN1
SCHEMBL560721 0.85 FPR2 (0.57) PSMB5MMEANPEPALDH1A1LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11185100-B2 Methods for modulating taste receptors MARS, INCORPORATED (US) 2021-11-30 US disclosed
US-20190021380-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2019-01-24 US disclosed
US-20180168208-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2018-06-21 US disclosed
US-20180168208-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2018-06-21 US disclosed
WO-2016094690-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2016-06-16 WO disclosed
WO-2016094682-A2 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2016-06-16 WO disclosed