SCHEMBL25898980

SCHEMBL25898980

COc1cccc(SC2CCN(C(=O)OC(C)(C)C)CCC2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
STS P08842 2/20 0.46
TGFBR1 P36897 2/20 0.45
GPR119 Q8TDV5 4/20 0.43
EPHX2 P34913 1/20 0.43
HTT P42858 1/20 0.43
CTSD P07339 1/20 0.42
CTSE P14091 1/20 0.42
BACE1 P56817 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
P2RX3 P56373 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
SCHEMBL25899063 0.89 GPR119 (0.45) MEN1KMT2AALDH1A1GPR119KDM4E
SCHEMBL25899021 0.87 HPGDS (0.47) MEN1KMT2AGPR119MKNK1KDM4E
SCHEMBL15769506 0.87 GPR119 (0.43) DDB1CRBNSTSGPR119KDM4E
SCHEMBL25898943 0.86 GPR119 (0.53) MEN1KMT2ASTSGPR119KDM4E
SCHEMBL22324973 0.86 MEN1 (0.54) MEN1KMT2AALDH1A1STSTGFBR1
SCHEMBL25898964 0.85 DDB1 (0.44) MEN1KMT2ADDB1CRBNALDH1A1
SCHEMBL15769716 0.80 GPR119 (0.47) ALDH1A1GPR119HTTKDM4EMAPT
SCHEMBL15781336 0.77 GPR119 (0.42) DDB1CRBNSTSGPR119KDM4E
SCHEMBL15781325 0.77 DDB1 (0.41) DDB1CRBNGPR119BACE1
SCHEMBL25899064 0.75 LIPE (0.42) GPR119

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-2023114858-A1 BENZOFURAN AND BENZOTHIOPHENE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed