Butadiene

Butadiene

SCHEMBL28294789

C=CC=C.Oc1cccc(-c2ccccc2O)c1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.53
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
BCL2L1 Q07817 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PELI1 Q96FA3 2/20 0.49
ALOX5 P09917 1/20 0.47
HSD17B1 P14061 10/20 0.47
HSD17B2 P37059 10/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PTPN5 P54829 1/20 0.44
ESR1 P03372 1/20 0.43
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GAPDH P04406 1/20 0.41

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
SCHEMBL2186104 0.90 ALDH1A1 (0.62) ESR2ALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL31344495 0.90 ALDH1A1 (0.62) ESR2ALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL31344497 0.90 ALDH1A1 (0.62) ESR2ALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL29352158 0.90 ALDH1A1 (0.62) ESR2ALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL29450254 0.90 ALDH1A1 (0.62) ESR2ALDH1A1HPGDBCL2L1HSD17B10
2-Phenylphenol SCHEMBL28577837 0.82 HPGD (0.77) ESR2ALDH1A1HPGDBCL2L1HSD17B10
2-Phenylphenol SCHEMBL9169316 0.81 ALDH1A1 (0.68) ESR2ALDH1A1HPGDBCL2L1HSD17B10
2-Phenylphenol SCHEMBL27903087 0.80 ALDH1A1 (0.74) ESR2ALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL28617501 0.80 AKR1B1 (0.55) ESR2ALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL23824845 0.80 ESR2 (0.59) ESR2ALDH1A1HPGDBCL2L1HSD17B10

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
CN-109796560-A A kind of energy-saving LED lamp lampshade material and preparation method thereof 湖南七纬科技有限公司 2019-05-24 CN claimed
CN-109796560-A A kind of energy-saving LED lamp lampshade material and preparation method thereof 湖南七纬科技有限公司 2019-05-24 CN disclosed