Butane

Butane

SCHEMBL6673989

CCCC.Cc1ccc(C(C)(C)C)cc1O

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ESR1 P03372 9/20 0.49
ESR2 Q92731 4/20 0.48
AR P10275 2/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2D6 P10635 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
CNR1 P21554 3/20 0.43
CNR2 P34972 3/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL674323 0.92 ALDH1A1 (0.67) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4401972 0.80 ESR1 (0.52) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL13204224 0.79 ESR1 (0.71) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4240819 0.77 ESR1 (0.50) ALDH1A1HPGDALOX15HSD17B10TDP1
Methacrylic Acid SCHEMBL29724206 0.77 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL10451995 0.77 CNR1 (0.55) ESR1ESR2ARCNR1CNR2
SCHEMBL171132 0.76 ESR1 (0.74) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL31621104 0.76 ESR1 (0.74) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL15171112 0.75 ESR1 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1
Alcohol SCHEMBL28326769 0.75 ALDH1A1 (0.83) ALDH1A1HPGDALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1309816-C Shaped solid detergent compositions UNILEVER NV (NL) 2007-04-11 CN disclosed
CN-1688684-A Shaped solid detergent compositions UNILEVER NV (NL) 2005-10-26 CN disclosed
WO-2004039935-A1 IMPROVED DETERGENT BAR COMPOSITION UNILEVER PLC (GB) 2004-05-13 WO disclosed
WO-2004039344-A1 IMPROVED SOLID STICK COMPOSITION FOR TOPICAL APPLICATION COMPRISING A COATING UNILEVER PLC (GB) 2004-05-13 WO disclosed
WO-2002090475-A2 SHAPED SOLID DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 2002-11-14 WO disclosed
CN-1210555-A Hot melt adhesive composition having excellent heat resistance and cold resistance DAICEL CHEM (JP) 1999-03-10 CN disclosed