SCHEMBL25859638

SCHEMBL25859638

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
TAS1R3 Q7RTX0 4/20 0.42
TAS1R1 Q7RTX1 4/20 0.42
PKM P14618 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.40
SRD5A2 P31213 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK9 P45984 1/20 0.39

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
SCHEMBL25859944 1.00 HPGD (0.43) HPGDALDH1A1MAPK1CTNNB1WNT3A
SCHEMBL25860293 1.00 HPGD (0.43) HPGDALDH1A1MAPK1CTNNB1WNT3A
SCHEMBL25859950 0.89 ALDH1A1 (0.45) HPGDALDH1A1MAPK1CTNNB1WNT3A
SCHEMBL25859636 0.89 ALDH1A1 (0.45) HPGDALDH1A1MAPK1CTNNB1WNT3A
SCHEMBL25860284 0.89 ALDH1A1 (0.45) HPGDALDH1A1MAPK1CTNNB1WNT3A
SCHEMBL25863041 0.88 HPGD (0.45) HPGDALDH1A1MAPK1CTNNB1WNT3A
SCHEMBL25859934 0.87 TAS1R3 (0.42) HPGDALDH1A1MAPK1TAS1R3TAS1R1
SCHEMBL25859632 0.87 TAS1R3 (0.42) HPGDALDH1A1MAPK1TAS1R3TAS1R1
SCHEMBL25860269 0.87 TAS1R3 (0.42) HPGDALDH1A1MAPK1TAS1R3TAS1R1
SCHEMBL30790405 0.86 TAS1R3 (0.42) HPGDALDH1A1MAPK1TAS1R3TAS1R1

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