Butane

Butane

SCHEMBL4287055

CCCC.Cc1cc(O)c(C(C)(C)C)cc1O.Cc1cc(O)c(C(C)(C)C)cc1O

nearest known ligand 0.62

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.62
ALDH1A1 P00352 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
CYP1A2 P05177 3/20 0.62
KDM4E B2RXH2 2/20 0.62
MAPT P10636 2/20 0.62
ATP2A2 P16615 1/20 0.62
ATP2A3 Q93084 1/20 0.62
CYP2C9 P11712 6/20 0.59
CYP2C19 P33261 5/20 0.59
TP53 P04637 3/20 0.59
CYP2D6 P10635 3/20 0.59
HIF1A Q16665 4/20 0.55
CYP3A4 P08684 3/20 0.55
MAPK1 P28482 2/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
HSD17B10 Q99714 3/20 0.43

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
Butane SCHEMBL9123992 1.00 ALOX15 (0.62) ALOX15ALDH1A1SMN1; SMN2CYP1A2KDM4E
Butane SCHEMBL7458157 1.00 ALOX15 (0.62) ALOX15ALDH1A1SMN1; SMN2CYP1A2KDM4E
SCHEMBL5470246 0.91 ALOX15 (0.75) ALOX15ALDH1A1SMN1; SMN2CYP1A2KDM4E
Butane SCHEMBL28885880 0.89 ALDH1A1 (0.79) ALOX15ALDH1A1SMN1; SMN2CYP1A2KDM4E
SCHEMBL12149767 0.82 ALOX15 (0.67) ALOX15ALDH1A1SMN1; SMN2CYP1A2KDM4E
Butane SCHEMBL28348075 0.82 SMN1; SMN2 (0.69) ALOX15ALDH1A1SMN1; SMN2CYP1A2KDM4E
Phosphoric Acid SCHEMBL27709423 0.82 ALDH1A1 (0.60) ALOX15ALDH1A1SMN1; SMN2CYP1A2KDM4E
SCHEMBL7124093 0.81 ALOX15 (0.46) ALOX15ALDH1A1SMN1; SMN2CYP1A2KDM4E
SCHEMBL8861301 0.80 ESR1 (0.47) ALOX15ALDH1A1SMN1; SMN2CYP1A2KDM4E
SCHEMBL27583819 0.80 ALDH1A1 (0.58) ALOX15ALDH1A1SMN1; SMN2CYP1A2KDM4E

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
EP-2057222-A2 LIQUID PHOSPHITE BLENDS AS STABILIZERS Chemtura USA Corporation (US) 2009-05-13 EP disclosed
WO-2007149143-A2 LIQUID PHOSPHITE BLENDS AS STABILIZERS CHEMTURA CORPORATION (US) 2007-12-27 WO disclosed
WO-2007050393-A2 THERMOPLASTIC BLEND COMPOSITIONS AS SOFT COUPLING AGENTS CHEMTURA CORPORATION (US) 2007-05-03 WO disclosed
EP-0793688-A1 POLYMER COMPOSITIONS CONTAINING AMINE OXIDE STABILIZER COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 1997-09-10 EP disclosed
WO-1997011993-A1 POLYMER COMPOSITIONS CONTAINING AMINE OXIDE STABILIZER COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 1997-04-03 WO disclosed