SCHEMBL30802160

SCHEMBL30802160

COCOc1ccc(C)cc1OCOC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
L3MBTL1 Q9Y468 13/20 0.49
MAPT P10636 10/20 0.49
HPGD P15428 6/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL4 Q8NA19 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
RAB9A P51151 6/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
TDP1 Q9NUW8 3/20 0.44

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
SCHEMBL11890520 1.00 ACHE (0.52) ACHEL3MBTL1MAPTHPGDCYP2C9
SCHEMBL12408754 0.92 ACHE (0.65) ACHEL3MBTL1MAPTHPGDCYP2C9
SCHEMBL12375199 0.92 ACHE (0.65) ACHEL3MBTL1MAPTHPGDCYP2C9
SCHEMBL12800776 0.86 MAPT (0.53) ACHEL3MBTL1MAPTHPGDCYP2C9
SCHEMBL10111073 0.85 TSHR (0.51) ACHEL3MBTL1MAPTHPGDCYP2C9
SCHEMBL29601399 0.85 HPGD (0.50) ACHEL3MBTL1MAPTHPGDALDH1A1
SCHEMBL12772059 0.85 HPGD (0.50) ACHEL3MBTL1MAPTHPGDALDH1A1
SCHEMBL20323328 0.83 ACHE (0.71) ACHEL3MBTL1MAPTHPGDCYP2C9
SCHEMBL14285984 0.82 ACHE (0.42) ACHEL3MBTL1MAPTHPGDCYP2C9
SCHEMBL13802277 0.82 ACHE (0.42) ACHEL3MBTL1MAPTHPGDCYP2C9

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-4568975-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2025-06-18 EP disclosed
WO-2024033845-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-15 WO disclosed