SCHEMBL25860275

SCHEMBL25860275

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
PKM P14618 1/20 0.44
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
ALPL P05186 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 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
SCHEMBL25863025 1.00 TAS1R3 (0.47) TAS1R3TAS1R1PKMHPGDALDH1A1
SCHEMBL25859939 1.00 TAS1R3 (0.47) TAS1R3TAS1R1PKMHPGDALDH1A1
SCHEMBL25863041 0.91 HPGD (0.45) TAS1R3TAS1R1PKMHPGDALDH1A1
SCHEMBL25859636 0.87 ALDH1A1 (0.45) TAS1R3TAS1R1PKMHPGDALDH1A1
SCHEMBL25860284 0.87 ALDH1A1 (0.45) TAS1R3TAS1R1PKMHPGDALDH1A1
SCHEMBL25859950 0.87 ALDH1A1 (0.45) TAS1R3TAS1R1PKMHPGDALDH1A1
SCHEMBL25859935 0.87 ALDH1A1 (0.48) TAS1R3TAS1R1PKMHPGDALDH1A1
SCHEMBL25860270 0.87 ALDH1A1 (0.48) TAS1R3TAS1R1PKMHPGDALDH1A1
SCHEMBL25859934 0.85 TAS1R3 (0.42) TAS1R3TAS1R1PKMHPGDALDH1A1
SCHEMBL25859533 0.85 ALDH1A1 (0.51) TAS1R3TAS1R1PKMHPGDALDH1A1

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-2023137453-A1 PRODRUGS OF 3,4-METHYLENEDIOXY-N-METHCATHINONE AND USES THEREOF TERRAN BIOSCIENCES INC. (US) 2023-07-20 WO disclosed