Butadiene

Butadiene

SCHEMBL8463302

C=CC=C.C[Ti](C)(NC(=O)c1ccccc1)C1c2ccccc2-c2ccccc21.[SiH4]

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
POLB P06746 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 2/20 0.35
KDM1A O60341 1/20 0.35
HDAC3 O15379 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL8463303 0.89 KMT2A (0.40) KMT2AMEN1LMNAGAAALDH1A1
SCHEMBL8465761 0.89 KMT2A (0.40) KMT2AMEN1LMNAGAAALDH1A1
SCHEMBL8466872 0.86 MEN1 (0.37) KMT2AMEN1LMNAGAAALDH1A1
Butadiene SCHEMBL8463476 0.77 CYP2C19 (0.41) KMT2ALMNAALDH1A1HPGDHDAC3
Butadiene SCHEMBL8466562 0.77 MEN1 (0.33) KMT2AMEN1LMNAALDH1A1MAPT
Butadiene SCHEMBL8467284 0.76 KMT2A (0.31) KMT2APOLBHDAC3HDAC7HDAC8
Butadiene SCHEMBL8524026 0.73 GPR3 (0.31)
SCHEMBL8465641 0.72 HPGD (0.40) LMNAGAAALDH1A1HPGDHDAC3
SCHEMBL8057508 0.70 MEN1 (0.30) KMT2AMEN1
Butadiene SCHEMBL8466900 0.69 MEN1 (0.31) KMT2AMEN1LMNAALDH1A1MAPT

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