SCHEMBL3221405

SCHEMBL3221405

O=C1C=CC2=CCOC2=C1

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.30
BCHE P06276 1/20 0.30
POLB P06746 1/20 0.30
MAOA P21397 1/20 0.30
ACHE P22303 1/20 0.30
MAOB P27338 1/20 0.30
APEX1 P27695 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
MDM2 Q00987 1/20 0.30
DHODH Q02127 1/20 0.30
HSD17B10 Q99714 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL32670948 0.87
SCHEMBL9372716 0.75 CA1 (0.35) CA1CA9
SCHEMBL6444428 0.67
SCHEMBL2830662 0.64 ALDH1A1 (0.35) ALDH1A1BCHEPOLBMAOAACHE
SCHEMBL592447 0.61 MAOA (0.54) ALDH1A1BCHEPOLBMAOAACHE
SCHEMBL8688750 0.60 CA1 (0.41) CA1CA9
SCHEMBL9559362 0.58
SCHEMBL353444 0.57
SCHEMBL18342516 0.56 ALDH1A1 (0.32) ALDH1A1BCHEPOLBMAOAACHE
SCHEMBL3842544 0.56 ALDH1A1 (0.32) ALDH1A1BCHEPOLBMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119213034-A Bifunctional protein, preparation and use thereof 苏州创胜医药集团有限公司 2024-12-27 CN disclosed
WO-2010006121-A2 19-NOR-VITAMIN D ANALOGS WITH 3,2-DIHYDROFURAN RING WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-01-14 WO disclosed
WO-2009071799-A1 PROCESS FOR THE SYNTHESIS OF 4-BENZOFURANCARBOXYLIC ACID ZACH SYSTEM (FR) 2009-06-11 WO disclosed