Butane

Butane

SCHEMBL4800380

CC(=O)OC(=O)CCCCCCCCC(=O)O.CCCC

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.56
PPARG P37231 7/20 0.56
PPARD Q03181 7/20 0.56
PPARA Q07869 7/20 0.56
TSHR P16473 6/20 0.56
HDAC11 Q96DB2 5/20 0.56
PTPN1 P18031 3/20 0.56
ALDH1A1 P00352 2/20 0.56
TLR2 O60603 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
FABP4 P15090 2/20 0.56
KMT2A Q03164 2/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
SLC22A8 Q8TCC7 1/20 0.56
MEN1 O00255 1/20 0.56
ESR1 P03372 1/20 0.56
ALOX15 P16050 1/20 0.56
PDE4A P27815 1/20 0.56
PDE3A Q14432 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
Octanoic Acid SCHEMBL28893184 0.94 GPR84 (0.65) GPR84PPARGPPARDPPARATSHR
SCHEMBL27573989 0.94 TSHR (0.55) GPR84PPARGPPARDPPARATSHR
SCHEMBL11132190 0.94 TSHR (0.55) GPR84PPARGPPARDPPARATSHR
SCHEMBL27955654 0.94 TSHR (0.55) GPR84PPARGPPARDPPARATSHR
SCHEMBL28242013 0.94 TSHR (0.55) GPR84PPARGPPARDPPARATSHR
SCHEMBL3703185 0.92 TSHR (0.54) GPR84PPARGPPARDPPARATSHR
SCHEMBL27557785 0.87 TSHR (0.60) GPR84PPARGPPARDPPARATSHR
Acetic Acid SCHEMBL28851568 0.86 DGKA (0.55) GPR84PPARGPPARDPPARATSHR
Acetic Acid SCHEMBL27635647 0.86 DGKA (0.55) GPR84PPARGPPARDPPARATSHR
Acetic Acid SCHEMBL3309090 0.86 DGKA (0.55) GPR84PPARGPPARDPPARATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322349-B1 PROTECTANT FILM FOR SKIN COLOPLAST CORP (US) 2005-06-15 EP claimed
EP-1322349-A2 PROTECTANT FILM FOR SKIN Coloplast Corporation (US) 2003-07-02 EP claimed
WO-2002026278-A2 PROTECTANT FILM FOR SKIN COLOPLAST CORPORATION (US) 2002-04-04 WO claimed
US-6358503-B1 TO PRODUCE A PROTECTIVE FILM FOR SKIN WHEN APPLIED TO THE SKIN OF A USER COLOPLAST CORP. 2002-03-19 US claimed
US-8999302-B1 Skin dye protectant formulations APLICARE, INC. (US) 2015-04-07 US disclosed
US-7318937-B2 Liquid coating compositions CLOSURE MEDICAL CORPORATION (US) 2008-01-15 US disclosed
EP-1871838-A2 LIQUID COATING COMPOSITIONS Closure Medical Corporation (US) 2008-01-02 EP disclosed
WO-2006101955-A2 LIQUID COATING COMPOSITIONS CLOSURE MEDICAL CORPORATION (US) 2006-09-28 WO disclosed
US-20060211820-A1 Liquid coating compositions KENVUE BRANDS LLC 2006-09-21 US disclosed
EP-1322349-B1 PROTECTANT FILM FOR SKIN COLOPLAST CORP (US) 2005-06-15 EP disclosed
EP-1322349-A2 PROTECTANT FILM FOR SKIN Coloplast Corporation (US) 2003-07-02 EP disclosed
WO-2002026278-A2 PROTECTANT FILM FOR SKIN COLOPLAST CORPORATION (US) 2002-04-04 WO disclosed
US-6358503-B1 TO PRODUCE A PROTECTIVE FILM FOR SKIN WHEN APPLIED TO THE SKIN OF A USER COLOPLAST CORP. 2002-03-19 US disclosed