Butadiene

Butadiene

SCHEMBL9697334

C=CC=C.C=CCOC(=O)C(=C)CC=Cc1ccccc1.C=CCOC(=O)C=C

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.43
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.38
CASP1 P29466 1/20 0.38
MAOB P27338 2/20 0.38
THRB P10828 1/20 0.38
APP P05067 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7267868 0.97 PAM (0.45) PAMMAPTLMNAMEN1MAPK1
Butadiene SCHEMBL1681602 0.94 PAM (0.49) PAMMAPTLMNAMEN1MAPK1
SCHEMBL2490104 0.91 PAM (0.51) PAMMAPTLMNAMEN1MAPK1
SCHEMBL9876554 0.89 PAM (0.42) PAMMAPTLMNAMEN1MAPK1
SCHEMBL208005 0.89 PAM (0.46) PAMMAPTLMNAMEN1MAPK1
SCHEMBL15194916 0.86 MEN1 (0.42) PAMMAPTLMNAMEN1MAPK1
SCHEMBL11819293 0.79 PAM (0.40) PAMMAPTLMNAMEN1MAPK1
SCHEMBL6977599 0.79 MAPT (0.46) PAMMAPTLMNAMEN1MAPK1
Styrene SCHEMBL3117319 0.79 CYP3A4 (0.49) MAPTLMNAMEN1MAPK1KMT2A
SCHEMBL891181 0.78 MMP1 (0.51) PAMMAPTLMNAMEN1MAPK1

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-5164434-A Sulfide compound for thermal and/or oxidative stabilization of polymers ROHM AND HAAS COMPANY (US) 1992-11-17 US disclosed
EP-0488550-A1 Thermal stabilizers ROHM AND HAAS COMPANY (US) 1992-06-03 EP disclosed