SCHEMBL17822209

SCHEMBL17822209

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 10/20 0.69
TAS1R1 Q7RTX1 10/20 0.69
RAB9A P51151 4/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
NPC1 O15118 2/20 0.55
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL30969950 1.00 TAS1R3 (0.69) TAS1R3TAS1R1RAB9AMAPTTSHR
SCHEMBL17822215 1.00 TAS1R3 (0.69) TAS1R3TAS1R1RAB9AMAPTTSHR
SCHEMBL705743 0.89 TAS1R3 (0.78) TAS1R3TAS1R1RAB9ACYP1A2CYP3A4
SCHEMBL705742 0.89 TAS1R3 (0.78) TAS1R3TAS1R1RAB9ACYP1A2CYP3A4
SCHEMBL25496973 0.89 TAS1R3 (0.78) TAS1R3TAS1R1RAB9ACYP1A2CYP3A4
SCHEMBL25496991 0.83 TAS1R3 (0.83) TAS1R3TAS1R1RAB9AMAPTTSHR
SCHEMBL17822666 0.83 TAS1R3 (0.62) TAS1R3TAS1R1RAB9AMAPTCYP1A2
SCHEMBL5407656 0.83 TAS1R3 (0.62) TAS1R3TAS1R1RAB9AMAPTCYP1A2
SCHEMBL702057 0.82 TAS1R3 (1.00) TAS1R3TAS1R1RAB9AMAPTTSHR
SCHEMBL702056 0.82 TAS1R3 (1.00) TAS1R3TAS1R1RAB9AMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4403042-A2 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME Mars, Incorporated (US) 2024-07-24 EP disclosed
EP-3229612-B1 USE OF FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2024-06-26 EP disclosed
US-11185100-B2 Methods for modulating taste receptors MARS, INCORPORATED (US) 2021-11-30 US disclosed
EP-3229610-B1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2021-06-09 EP disclosed
US-20200397030-A1 COMPOUNDS THAT MODULATE FATTY ACID RECEPTOR ACTIVITY AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2020-12-24 US disclosed
US-10827772-B2 Compounds that modulate fatty acid receptor activity and pet food products containing the same MARS, INCORPORATED (US) 2020-11-10 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
US-20170367387-A1 COMPOUNDS THAT MODULATE FATTY ACID RECEPTOR ACTIVITY AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2017-12-28 US disclosed
EP-3229606-A2 METHODS FOR MODULATING TASTE RECEPTORS Mars, Incorporated (US) 2017-10-18 EP disclosed
EP-3229610-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME Mars, Incorporated (US) 2017-10-18 EP disclosed
EP-3229612-A2 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME Mars, Incorporated (US) 2017-10-18 EP 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
WO-2016094702-A2 METHODS FOR MODULATING TASTE RECEPTORS MARS, INCORPORATED (US) 2016-06-16 WO disclosed