Butadiene

Butadiene

SCHEMBL8466562

C=CC=C.C[Ti](C)(NC(=O)c1ccccc1)C1C=Cc2ccccc21.[SiH4]

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 4/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
POLB P06746 2/20 0.31
HDAC3 O15379 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
IDO1 P14902 1/20 0.31
ALOX15 P16050 1/20 0.31
HDAC1 Q13547 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
SCHEMBL8601079 0.94 MEN1 (0.36) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL8057508 0.92 MEN1 (0.30) MEN1KMT2A
SCHEMBL8678439 0.90 MEN1 (0.33) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL8465654 0.90 MEN1 (0.33) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL8056636 0.90 MEN1 (0.30) MEN1KMT2AAKT1
SCHEMBL8060949 0.89 MEN1 (0.32) MEN1KMT2ALMNANPC1MAPT
SCHEMBL8057554 0.87 GAA (0.39) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL8466565 0.87 MEN1 (0.31) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL8060999 0.86 MEN1 (0.30) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL8063166 0.84 GAA (0.41) MEN1KMT2ALMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767795-B1 GROUP 4 METAL DIENE COMPLEXES AND ADDITION POLYMERIZATION CATALYSTS THEREFROM DOW CHEMICAL CO (US) 1999-12-22 EP disclosed
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