SCHEMBL27345874

SCHEMBL27345874

C1=CC(CC2CCCCC2)=C([Zr](Cc2ccccc2)Cc2ccccc2)C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
KLK7 P49862 1/20 0.34
PPM1D O15297 1/20 0.34
SLC18A3 Q16572 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6055314 0.89 PPM1D (0.31) GBA1RAB9ANPC1PPM1DSLC18A3
SCHEMBL6055240 0.72 GBA1 (0.34) GBA1RAB9ANPC1PPM1DSLC18A3
SCHEMBL7171021 0.72 GBA1 (0.34) GBA1RAB9ANPC1PPM1DSLC18A3
SCHEMBL8137977 0.69 GBA1 (0.63) GBA1SLC18A3
SCHEMBL29013918 0.69 GBA1 (0.63) GBA1SLC18A3
SCHEMBL113380 0.69 GBA1 (0.63) GBA1SLC18A3
SCHEMBL158625 0.69 GBA1 (0.63) GBA1SLC18A3
SCHEMBL6290794 0.69 GBA1 (0.63) GBA1SLC18A3
SCHEMBL1119456 0.69 GBA1 (0.63) GBA1SLC18A3
SCHEMBL28374076 0.69 GBA1 (0.63) GBA1SLC18A3

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
CN-1032008-C Addition polymerization catalyst with oxidative activation DOW CHEMICAL CO (US) 1996-06-12 CN disclosed
CN-1057845-A Addition polymerization catalyst with oxidation activity DOW CHEMICAL CO (US) 1992-01-15 CN disclosed