SCHEMBL17822666

SCHEMBL17822666

CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.62
TAS1R1 Q7RTX1 7/20 0.62
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.56
PKM P14618 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 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
SCHEMBL5407656 1.00 TAS1R3 (0.62) TAS1R3TAS1R1CYP1A2CYP3A4CYP2C19
SCHEMBL4880917 0.89 TAS1R3 (0.60) TAS1R3TAS1R1MEN1KMT2APOLB
SCHEMBL31611734 0.87 TAS1R3 (0.78) TAS1R3TAS1R1MEN1KMT2APKM
SCHEMBL705742 0.86 TAS1R3 (0.78) TAS1R3TAS1R1CYP1A2CYP3A4CYP2C19
SCHEMBL705743 0.86 TAS1R3 (0.78) TAS1R3TAS1R1CYP1A2CYP3A4CYP2C19
SCHEMBL25496973 0.86 TAS1R3 (0.78) TAS1R3TAS1R1CYP1A2CYP3A4CYP2C19
SCHEMBL5010361 0.84 TAS1R3 (0.61) TAS1R3TAS1R1MEN1KMT2APKM
SCHEMBL11142926 0.84 TAS1R3 (0.67) TAS1R3TAS1R1MEN1KMT2APKM
SCHEMBL8874793 0.84 MAPK9 (0.54) TAS1R3TAS1R1MEN1KMT2APKM
SCHEMBL8874795 0.84 MAPK9 (0.54) TAS1R3TAS1R1MEN1KMT2APKM

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 7 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-20210315244-A1 COMPOUNDS THAT MODULATE GPR92 RECEPTOR ACTIVITY AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2021-10-14 US disclosed
US-20190021380-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2019-01-24 US disclosed
US-20180255813-A1 METHODS FOR MODULATING TASTE RECEPTORS MARS, INCORPORATED (US) 2018-09-13 US disclosed
US-20180168208-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2018-06-21 US disclosed
EP-3229611-A2 COMPOUNDS THAT MODULATE FATTY ACID RECEPTOR ACTIVITY AND PET FOOD PRODUCTS CONTAINING THE SAME Mars, Incorporated (US) 2017-10-18 EP disclosed
WO-2016094726-A2 COMPOUNDS THAT MODULATE FATTY ACID RECEPTOR ACTIVITY AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2016-06-16 WO disclosed