Butane

Butane

SCHEMBL27659367

CCCC.CCOP(=O)(O)Cc1ccc(O)cc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
PPARD Q03181 1/20 0.41
ENPP2 Q13822 1/20 0.41
CETP P11597 4/20 0.41
PTPN1 P18031 1/20 0.40
ESR1 P03372 4/20 0.39
SLC6A2 P23975 3/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
EGFR P00533 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CHRM1 P11229 2/20 0.39
LMNA P02545 1/20 0.39
SHBG P04278 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL915441 0.96 PPARD (0.44) POLBPPARDENPP2CETPPTPN1
SCHEMBL915108 0.91 HDAC1 (0.42) POLBPPARDENPP2CETPPTPN1
SCHEMBL915285 0.91 PTPN1 (0.50) POLBPPARDENPP2CETPPTPN1
SCHEMBL17488978 0.89 PPARD (0.50) POLBPPARDENPP2CETPHDAC1
SCHEMBL914831 0.88 LTA4H (0.51) POLBPPARDCETPPTPN1ESR1
SCHEMBL914720 0.87 ESR1 (0.47) POLBCETPESR1SLC6A2ALDH1A1
SCHEMBL915868 0.87 NR1H2 (0.44) POLBPPARDENPP2CETPPTPN1
Butane SCHEMBL28768768 0.86 ENPP2 (0.41) ENPP2CETPPTPN1ESR1SLC6A2
SCHEMBL915993 0.85 ESR1 (0.48) POLBESR1SLC6A2SLC6A4SLC6A3
SCHEMBL915303 0.85 GAA (0.46) POLBPPARDENPP2PTPN1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108656662-A Lamilate and preparation method 信越化学工业株式会社 2018-10-16 CN disclosed
CN-108666224-A Semiconductor devices, preparation method and lamilate 信越化学工业株式会社 2018-10-16 CN disclosed
CN-1961035-B Flame retardant CIBA SC HOLDING AG 2010-11-03 CN disclosed
CN-1961035-A flame retardant CIBA SC HOLDING AG (CH) 2007-05-09 CN disclosed
CN-1957008-A Perfluoro esters, polyesters, ethers and carbonates CIBA SC HOLDING AG (CH) 2007-05-02 CN disclosed