SCHEMBL8678552

SCHEMBL8678552

C=C(C(=C)c1ccccc1)c1ccccc1.C[Ti](C)(NC1CCCCCCCCCCC1)C1C2C=CC=CC2C2CCCCC21.[SiH4]

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 2/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL8523008 0.84
SCHEMBL8463610 0.83
SCHEMBL8677279 0.83 RAB9A (0.33) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL8678494 0.83 ALDH1A1 (0.37) LMNAALDH1A1RAB9ASMN1; SMN2
Butadiene SCHEMBL8846307 0.81
SCHEMBL8681422 0.80
SCHEMBL8463421 0.77 RAB9A (0.33) LMNACYP1A2CYP2D6SCN1ASCN2A
Butadiene SCHEMBL8465296 0.75 RAB9A (0.33) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL8467142 0.74 ADCY1 (0.32) ALDH1A1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL8678248 0.71

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
US-5770538-A Group 4 metal diene complexes and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1998-06-23 US disclosed
EP-0767795-A1 GROUP 4 METAL DIENE COMPLEXES AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1997-04-16 EP disclosed
US-5539068-A Group 4, metal-conjugated diene metallocyclopentene complexes, and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1996-07-23 US disclosed
US-5486632-A Group 4 metal diene complexes and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1996-01-23 US disclosed
WO-1996000734-A1 GROUP 4 METAL DIENE COMPLEXES AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1996-01-11 WO disclosed