SCHEMBL25898964

SCHEMBL25898964

COc1cccc(SC2CN(C(=O)OC(C)(C)C)CCCC2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
MMP1 P03956 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
ABL2 P42684 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
USP30 Q70CQ3 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TGFBR1 P36897 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
STS P08842 1/20 0.39
PDE4B Q07343 1/20 0.39
P2RX3 P56373 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
SCHEMBL25899064 0.89 LIPE (0.42) MMP1MMP9MMP13USP30
SCHEMBL15781327 0.87 USP30 (0.40) DDB1CRBNMMP1MMP9MMP13
SCHEMBL25899022 0.87 GPR119 (0.42) USP30MKNK1
SCHEMBL25898944 0.86 USP30 (0.44) USP30
SCHEMBL25898980 0.85 MEN1 (0.48) DDB1CRBNKMT2AMEN1ALDH1A1
SCHEMBL15781325 0.81 DDB1 (0.41) DDB1CRBNUSP30
SCHEMBL15769035 0.80 FPR2 (0.45) MMP1MMP9MMP13KMT2AMEN1
SCHEMBL22324973 0.79 MEN1 (0.54) KMT2AMEN1ABL1EGFRSRC
SCHEMBL25899063 0.74 GPR119 (0.45) KMT2AMEN1ALDH1A1
SCHEMBL21359263 0.73 BCL9 (0.60) KMT2AMEN1USP30ALDH1A1PDE4B

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