SCHEMBL9308548

SCHEMBL9308548

[Li]C(CC(C)CC)(c1ccc(CC)cc1)c1cccc(C([Li])(CC(C)CC)c2ccc(CC)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRIN1 Q05586 4/20 0.31
GRIN2A Q12879 4/20 0.31
GRIN2D O15399 3/20 0.31
GRIN2C Q14957 3/20 0.31
GRIN2B Q13224 2/20 0.31
TP53 P04637 1/20 0.31
HTR2A P28223 2/20 0.30
HTR2B P41595 2/20 0.30
HTR2C P28335 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
SCHEMBL4015805 0.87 GRIN1 (0.40) KIF11KMT2AALDH1A1GRIN1GRIN2A
SCHEMBL4459760 0.86 GRIN1 (0.31) KIF11GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL9308983 0.86 GRIA4 (0.35) NPC1ALDH1A1RAB9AL3MBTL1GRIN1
SCHEMBL4472117 0.84 THRA (0.39) LMNAALDH1A1TP53HTR2AHTR2C
SCHEMBL11442348 0.83 GRIN1 (0.34) KIF11GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL9842165 0.82 GRIN1 (0.42) ALDH1A1GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL136467 0.80 GRIN1 (0.44) ALDH1A1GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL11438838 0.79 GRIN1 (0.36) KIF11KMT2AGRIN1GRIN2AGRIN2D
SCHEMBL11420664 0.78 GRIN1 (0.40) KIF11ALDH1A1GRIN1GRIN2AGRIN2D
SCHEMBL5210805 0.75 TSHR (0.37) MEN1KMT2AMAPTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2886566-B1 Rubber composition and vehicle tyre CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2016-09-14 EP disclosed
EP-2886566-A1 Rubber composition and vehicle tyre Continental Reifen Deutschland GmbH (DE) 2015-06-24 EP disclosed
US-5286457-A Agitation to cause splashing and drop formation; reduce volatile monomer THE DOW CHEMICAL COMPANY (US) 1994-02-15 US disclosed
EP-0316857-B1 Amine containing initiator system for anionic polymerization DOW CHEMICAL CO (US) 1993-12-29 EP disclosed
US-5120805-A Agitation; reduce volatile monomer accumulation THE DOW CHEMICAL COMPANY (US) 1992-06-09 US disclosed
US-5112920-A Amine containing monomers THE DOW CHEMICAL COMPANY (US) 1992-05-12 US disclosed
US-4960842-A MULTIFUNCTIONAL LITHIUM INITIATOR THE DOW CHEMICAL COMPANY (US) 1990-10-02 US disclosed
WO-1989004843-A1 AMINE CONTAINING INITIATOR SYSTEM FOR ANIONIC POLYMERIZATION THE DOW CHEMICAL COMPANY (US) 1989-06-01 WO disclosed
EP-0316857-A2 Amine containing initiator system for anionic polymerization THE DOW CHEMICAL COMPANY (US) 1989-05-24 EP disclosed
US-4196154-A Soluble multifunctional lithium containing initiator THE DOW CHEMICAL COMPANY (US) 1980-04-01 US disclosed
US-4172100-A 1,3-Bis[1-(4-methylphenyl)ethenyl]benzene THE DOW CHEMICAL COMPANY (US) 1979-10-23 US disclosed
US-4172190-A Soluble multifunctional lithium containing initiator THE DOW CHEMICAL COMPANY (US) 1979-10-23 US disclosed