SCHEMBL24949285

SCHEMBL24949285

BC(=O)OCCCCOc1cc(C(C)C)c2sc3ccccc3c(=O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HCRTR1 O43613 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAOA P21397 15/20 0.40
MAOB P27338 15/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
BAD Q92934 1/20 0.37

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
SCHEMBL24947942 0.86 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1HCRTR1LMNA
SCHEMBL114623 0.83 PTPN1 (0.46) ALDH1A1MAPTL3MBTL1HCRTR1LMNA
SCHEMBL10001851 0.81 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1HCRTR1LMNA
SCHEMBL10001852 0.80 ALDH1A1 (0.39) ALDH1A1MAPTL3MBTL1HCRTR1LMNA
SCHEMBL24946576 0.79 KDM4E (0.54) ALDH1A1MAPTL3MBTL1HCRTR1MAOA
SCHEMBL24946578 0.78 MAPT (0.45) ALDH1A1MAPTL3MBTL1HCRTR1LMNA
SCHEMBL13066400 0.77 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1HCRTR1LMNA
SCHEMBL10001849 0.76 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1HCRTR1LMNA
SCHEMBL10001850 0.76 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1HCRTR1LMNA
SCHEMBL24949252 0.74 KDM4E (0.57) ALDH1A1MAPTL3MBTL1HCRTR1MAOA

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
US-20230032881-A1 ACTIVE ENERGY RAY POLYMERIZATION INITIATOR, ACTIVE ENERGY RAY CURING COMPOSITION, ACTIVE ENERGY RAY CURING INK, AQUEOUS ACTIVE ENERGY RAY CURING INK, CONTAINER, IMAGE FORMING DEVICE, IMAGE FORMING METHOD, AND METHOD OF MANUFACTURING ACTIVE ENERGY RAY POLYMERIZATION INITIATOR RICOH COMPANY, LTD. (JP) 2023-02-02 US disclosed