SCHEMBL20282802

SCHEMBL20282802

CCOc1ccc(CCNC(=O)C(=O)NCCc2ccc(C)cn2)c(OC)c1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.89
TAS1R1 Q7RTX1 2/20 0.89
ACACB O00763 1/20 0.47
MAPT P10636 7/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
CNR1 P21554 3/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL701975 0.94 TAS1R3 (1.00) TAS1R3TAS1R1ACACBMAPTLMNA
SCHEMBL701192 0.86 TAS1R3 (0.86) TAS1R3TAS1R1MAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL4257386 0.85 TAS1R3 (0.85) TAS1R3TAS1R1MAPTLMNAALDH1A1
SCHEMBL30777573 0.83 TAS1R3 (0.81) TAS1R3TAS1R1LMNAALDH1A1THRB
SCHEMBL702950 0.83 TAS1R3 (0.81) TAS1R3TAS1R1LMNAALDH1A1THRB
SCHEMBL14052196 0.81 TAS1R3 (0.63) TAS1R3TAS1R1MAPTLMNAALDH1A1
SCHEMBL702807 0.78 TAS1R3 (0.74) TAS1R3TAS1R1MAPTLMNAALDH1A1
SCHEMBL19494332 0.77 TAS1R3 (0.69) TAS1R3TAS1R1MAPTLMNAALDH1A1
SCHEMBL18971254 0.77 TAS1R3 (0.71) TAS1R3TAS1R1LMNAALDH1A1THRB
SCHEMBL19494435 0.76 TAS1R3 (0.64) TAS1R3TAS1R1MAPTALDH1A1HPGD

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 3 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