SCHEMBL30656330

SCHEMBL30656330

COc1ncccc1COc1ccc2sc(C)c(C(=O)NC3(CO)CCC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 5/20 0.37
ADAM17 P78536 4/20 0.36
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.33
DGAT2 Q96PD7 3/20 0.33
HDAC6 Q9UBN7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ABL1 P00519 1/20 0.32
ADAMTS4 O75173 2/20 0.32
MMP3 P08254 2/20 0.32
MMP7 P09237 2/20 0.32
ADAMTS1 Q9UHI8 2/20 0.32
ADAMTS5 Q9UNA0 2/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL30656112 0.97 CD274 (0.35) CD274ADAM17CNR2DGAT2HDAC6
SCHEMBL30656046 0.93 CD274 (0.41) CD274ADAM17CNR2DGAT2ADAMTS4
SCHEMBL30656121 0.90 CNR2 (0.38) CD274ADAM17CNR2CNR1ABL1
SCHEMBL30656091 0.85 PARP15 (0.39) CD274ADAM17
SCHEMBL30656008 0.85 MAPK14 (0.38) ADAM17CNR2
SCHEMBL24485688 0.84 SLC26A4 (0.48) L3MBTL1
SCHEMBL29629713 0.84 SLC26A4 (0.48) L3MBTL1
SCHEMBL30656066 0.84 SCN9A (0.35) CD274ADAM17CNR2ADAMTS4MMP3
SCHEMBL30656274 0.83 ADAM17 (0.41) CD274ADAM17CNR2CNR1DGAT2
SCHEMBL30656149 0.81 PARP15 (0.41)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4532013-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2025-04-09 EP claimed
WO-2023227697-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO claimed