SCHEMBL7603280

SCHEMBL7603280

CCCCC1=C2c3c(ccc4ccccc34)C1[Nb](C)(C)C1C(CCCC)=C(c3c1ccc1ccccc31)[Si]2(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NCEH1 Q6PIU2 1/20 0.32
TLR8 Q9NR97 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL797576 0.88 GAA (0.31) GAATDP1L3MBTL1NCEH1
SCHEMBL796650 0.73 KCNH2 (0.32)
SCHEMBL797210 0.72 GAA (0.32) GAATDP1L3MBTL1TLR8CNR1
SCHEMBL7601191 0.70 MAPT (0.35)
SCHEMBL7599708 0.69 KDM4E (0.31)
SCHEMBL796926 0.68 KDM4E (0.31)
SCHEMBL797664 0.68 TLR8 (0.30) TLR8
Hydrochloric Acid SCHEMBL5685058 0.66 CNR1 (0.36) TLR8CNR1CNR2
Hydrochloric Acid SCHEMBL4659054 0.64 CNR2 (0.34) CNR2
SCHEMBL7197061 0.62 ALDH1A1 (0.35) TDP1L3MBTL1

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-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed