SCHEMBL7209110

SCHEMBL7209110

CC[Zr](C1C(C)=Cc2c(-c3ccccc3)cccc21)C1C(C)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
BRD4 O60885 1/20 0.32
ADRB2 P07550 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL5709182 0.83 PDCD1 (0.34) PDCD1CD274BRD4CHRNB2CHRNA4
SCHEMBL3163967 0.82 BRD4 (0.33) PDCD1CD274BRD4CHRNB2CHRNA4
SCHEMBL7930455 0.82 BRD4 (0.33) PDCD1CD274BRD4CHRNB2CHRNA4
SCHEMBL7202513 0.82 PDCD1 (0.33) PDCD1CD274BRD4HCRTR1HCRTR2
SCHEMBL8167343 0.82 CA12 (0.34) CHRNB2CHRNA4HTR1AHTR7HTR2B
SCHEMBL6687090 0.81 PDCD1 (0.35) PDCD1CD274ADRB2
SCHEMBL7624920 0.81 BCHE (0.33) PDCD1CD274HTR7
Hydrochloric Acid SCHEMBL8168468 0.81 BRD4 (0.33) PDCD1CD274BRD4CHRNB2CHRNA4
SCHEMBL8678769 0.81 BRD4 (0.33) PDCD1CD274BRD4CHRNB2CHRNA4
SCHEMBL8897627 0.81 ESR2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1062219-A1 INTEGRATED PROCESS FOR PREPARATION OF DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 2000-12-27 EP claimed
WO-1999046270-A1 INTEGRATED PROCESS FOR PREPARATION OF DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1999-09-16 WO claimed
EP-0775148-B1 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 1999-08-25 EP claimed
EP-0775148-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1997-05-28 EP claimed
WO-1996004290-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1996-02-15 WO claimed
EP-0775148-B2 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 2003-01-02 EP disclosed
EP-1062219-A1 INTEGRATED PROCESS FOR PREPARATION OF DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 2000-12-27 EP disclosed
US-6051727-A A POLYMERIZATION CATALYST FOR POLYOLEFINS OF HIGH MOLECULAR WEIGHT, OF PARTICULAR IMPORTANCE FOR THE PRODUCTION OF FILMS, SHEETS OR LARGE HOLLOW ARTICLES OR MOLDINGS SUCH AS PIPES TARGOR GMBH (DE) 2000-04-18 US disclosed
WO-1999046270-A1 INTEGRATED PROCESS FOR PREPARATION OF DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1999-09-16 WO disclosed
EP-0775148-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1997-05-28 EP disclosed
WO-1996004290-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1996-02-15 WO disclosed