SCHEMBL7944258

SCHEMBL7944258

[Li]C1C(C)=C(C)c2cc3c(cc21)CCC3

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.35
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RAPGEF4 Q8WZA2 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
SCHEMBL7745069 0.74 CDC25B (0.32) CDC25B
SCHEMBL7949383 0.67
SCHEMBL7947426 0.67 NPC1 (0.31) KDM4EALDH1A1MAPK1HTTL3MBTL1
SCHEMBL29853980 0.67 NPC1 (0.31) KDM4EALDH1A1MAPK1HTTL3MBTL1
SCHEMBL7737208 0.66 MEN1 (0.32)
SCHEMBL25202453 0.61 CDC25B (0.48) CDC25BKDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL8369962 0.61
SCHEMBL30635627 0.61 CDC25B (0.48) CDC25BKDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL15412529 0.60 CA1 (0.36) CDC25BKDM4EALDH1A1L3MBTL1
SCHEMBL3208997 0.60 POLB (0.42) CDC25BKDM4EALDH1A1L3MBTL1RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946575-B1 FUSED RING SUBSTITUTED INDENYL METAL COMPLEXES AND POLYMERIZATION PROCESS DOW CHEMICAL CO (US) 2001-10-10 EP disclosed
US-6034022-A COORDINATION POLYMERIZATION CATALYST THE DOW CHEMICAL COMPANY (US) 2000-03-07 US disclosed
US-5965756-A COORDINATION CATALYSTS AS ADDITION POLYMERIZATION CATALYSTS THE DOW CHEMICAL COMPANY (US) 1999-10-12 US disclosed
EP-0946575-A1 FUSED RING SUBSTITUTED INDENYL METAL COMPLEXES AND POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1999-10-06 EP disclosed
WO-1998027103-A1 FUSED RING SUBSTITUTED INDENYL METAL COMPLEXES AND POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1998-06-25 WO disclosed