SCHEMBL28831780

SCHEMBL28831780

O=C1C(CCc2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 2/20 0.45
PTPN1 P18031 3/20 0.44
PARK7 Q99497 1/20 0.40
FFAR1 O14842 2/20 0.38
PDE4B Q07343 1/20 0.38
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KEAP1 Q14145 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL14094715 0.84 FFAR1 (0.47) PARK7FFAR1PDE4BMAOAMAOB
SCHEMBL14094717 0.78 DAO (0.41) XIAPPARK7FFAR1PDE4BMAOA
SCHEMBL14094760 0.78 DAO (0.41) XIAPPARK7FFAR1PDE4BMAOA
SCHEMBL14094716 0.78 DAO (0.44) XIAPFFAR1MAOAMAOBMEN1
SCHEMBL14094724 0.77 DAO (0.43) PARK7FFAR1MAOAMAOBMEN1
SCHEMBL14094759 0.75 XIAP (0.40) XIAPPARK7FFAR1MAOAMAOB
SCHEMBL14094764 0.75 MAOA (0.43) PTPN1PARK7FFAR1MAOAMAOB
SCHEMBL516326 0.73 PDE4B (0.54) PDE4BMAOAMEN1KMT2ALMNA
SCHEMBL14094763 0.73 PTPN1 (0.41) PTPN1FFAR1PDE4BMAOAMAOB
SCHEMBL27921520 0.72 PDE4B (0.53) XIAPPTPN1PARK7PDE4BMAOA

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
CN-109641188-B Forming 2D flakes by chemical cutting of preformed nanoparticles and van der Waals heterostructure devices prepared using the same 纳米技术有限公司 2022-07-05 CN disclosed