Butadiene

Butadiene

SCHEMBL25333354

C=CC=C.CCCCC(=Nc1c(C)cccc1C)c1cccc(C(CCCC)=Nc2c(C)cccc2C)n1.[Fe]

nearest known ligand 0.35

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 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
Butadiene SCHEMBL25333767 0.96 LMNA (0.40) KDM4ELMNAUSP2ALOX15ALOX12
Butadiene SCHEMBL25332591 0.95 KDM4E (0.42) KDM4ELMNAUSP2ALOX15ALOX12
Butadiene SCHEMBL25333563 0.95 KDM4E (0.42) KDM4ELMNAUSP2ALOX15ALOX12
Butadiene SCHEMBL25335303 0.95 KDM4E (0.42) KDM4ELMNAUSP2ALOX15ALOX12
SCHEMBL25331690 0.94 KDM4E (0.38) KDM4ELMNAUSP2ALOX15ALOX12
SCHEMBL25334797 0.93 KDM4E (0.39) KDM4ELMNAUSP2ALOX15ALOX12
SCHEMBL25936119 0.93 KDM4E (0.39) KDM4ELMNAUSP2ALOX15ALOX12
SCHEMBL25333520 0.91 KDM4E (0.33) KDM4ELMNAUSP2ALOX15ALOX12
SCHEMBL30537939 0.90 LMNA (0.43) KDM4ELMNAUSP2ALOX15ALOX12
Hydrochloric Acid SCHEMBL25332634 0.90 KDM4E (0.40) KDM4ELMNAUSP2ALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250200-A1 IMPROVED CATALYSTS FOR INTERMOLECULAR CYCLOADDITION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-08-10 US claimed
US-20230250200-A1 IMPROVED CATALYSTS FOR INTERMOLECULAR CYCLOADDITION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-08-10 US disclosed