SCHEMBL4469130

SCHEMBL4469130

CC(C)C1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Zr]

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
PTAFR P25105 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
TSHR P16473 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL29922672 1.00 BRD4 (0.33) BRD4CREBBPPTAFRAKR1C3AKR1C2
Hydrochloric Acid SCHEMBL5143995 0.99 BRD4 (0.32) BRD4CREBBPPTAFR
SCHEMBL1801597 0.85 BRD4 (0.33) BRD4CREBBPAKR1C3AKR1C2NPC1
SCHEMBL27757725 0.85 BRD4 (0.34) BRD4CREBBPLMNA
SCHEMBL7853080 0.84 CHRNB2 (0.32) BRD4
SCHEMBL28755381 0.84 BRD4 (0.33) BRD4CREBBPAKR1C3AKR1C2NPC1
SCHEMBL7036041 0.84 BRD4 (0.33) BRD4CREBBPAKR1C3AKR1C2NPC1
SCHEMBL27663755 0.84 BRD4 (0.33) BRD4CREBBPAKR1C3AKR1C2NPC1
Hydrochloric Acid SCHEMBL28755372 0.83 CHRNB2 (0.31) BRD4
SCHEMBL28024299 0.83 CHRNB2 (0.31) BRD4

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
CN-101356199-B Novel bridged metallocene catalyst is used to prepare the method for extra high molecular polymer TICONA GMBH (DE) 2015-08-05 CN disclosed
US-7569651-B2 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins BASELL POLYPROPYLEN GMBH (DE) 2009-08-04 US disclosed
CN-101356199-A Method for producing ultra-high molecular weight polymers by means of special bridged metallocene catalysts TICONA GMBH (DE) 2009-01-28 CN disclosed
US-7342078-B2 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2008-03-11 US disclosed
US-20060020096-A1 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins SCHOTTEK JORG 2006-01-26 US disclosed