SCHEMBL25863045

SCHEMBL25863045

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 2/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
PKM P14618 2/20 0.42
CTNNB1 P35222 2/20 0.41
WNT3A P56704 2/20 0.41
SRD5A2 P31213 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL25863021 0.91 MEN1 (0.47) ALDH1A1MAPK1MEN1KMT2ANPC1
SCHEMBL25859936 0.91 MEN1 (0.47) ALDH1A1MAPK1MEN1KMT2ANPC1
SCHEMBL25860272 0.91 MEN1 (0.47) ALDH1A1MAPK1MEN1KMT2ANPC1
SCHEMBL25859935 0.89 ALDH1A1 (0.48) ALDH1A1MAPK1MEN1KMT2ANPC1
SCHEMBL25860270 0.89 ALDH1A1 (0.48) ALDH1A1MAPK1MEN1KMT2ANPC1
SCHEMBL25860277 0.88 TAS1R3 (0.49) ALDH1A1MAPK1MEN1KMT2ANPC1
SCHEMBL25859940 0.88 TAS1R3 (0.49) ALDH1A1MAPK1MEN1KMT2ANPC1
SCHEMBL25859533 0.87 ALDH1A1 (0.51) ALDH1A1MAPK1MEN1KMT2ANPC1
SCHEMBL25863041 0.85 HPGD (0.45) ALDH1A1MAPK1MEN1KMT2ANPC1
SCHEMBL25863025 0.83 TAS1R3 (0.47) ALDH1A1MAPK1MEN1KMT2ANPC1

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