Butadiene

Butadiene

SCHEMBL3372131

C=CC=C.COc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.36

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
Ethylene SCHEMBL28106925 0.88 KMT2A (0.44) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL54507 0.88 KMT2A (0.47) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
Benzene SCHEMBL29202175 0.83 KMT2A (0.50) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL16952640 0.77 HSD17B10 (0.41) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL10510118 0.74 MAPT (0.50) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL1387190 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL23409566 0.73 KMT2A (0.45) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL6079187 0.73 GAA (0.43) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL19088270 0.73 KMT2A (0.41) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL9332735 0.73 TPMT (0.58) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290635-B2 Polyamide sheet silicate compositions EMS-PATENT AG (CH) 2016-03-22 US disclosed
US-20130164477-A1 POLYAMIDE SHEET SILICATE COMPOSITIONS EMS-PATENT AG (CH) 2013-06-27 US disclosed
US-20100159175-A1 POLYAMIDE SHEET SILICATE COMPOSITIONS EMS-PATENT AG (CH) 2010-06-24 US disclosed