Butane

Butane

SCHEMBL4908504

CCC/C=C/C=O.CCCC

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.55
TSHR P16473 4/20 0.52
ALDH1A1 P00352 3/20 0.52
FAAH O00519 2/20 0.33
GAPDH P04406 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
MAPK1 P28482 1/20 0.33
DDAH1 O94760 1/20 0.32
MAPT P10636 1/20 0.32
FASN P49327 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN11 Q06124 1/20 0.31
PPARA Q07869 1/20 0.30

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
SCHEMBL8214277 0.97 TRPA1 (0.58) TRPA1TSHRALDH1A1FAAHGAPDH
SCHEMBL1701371 0.97
SCHEMBL112269 0.97
SCHEMBL29822 0.97
Hydrochloric Acid SCHEMBL31316970 0.94
Hydrochloric Acid SCHEMBL2824935 0.94
Water SCHEMBL27678595 0.94
SCHEMBL2859166 0.92 TRPA1 (0.52) TRPA1TSHRALDH1A1FAAHGAPDH
SCHEMBL2859164 0.92 TRPA1 (0.52) TRPA1TSHRALDH1A1FAAHGAPDH
SCHEMBL18941519 0.92 TRPA1 (0.52) TRPA1TSHRALDH1A1FAAHGAPDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080175813-A1 NOVEL ATTRACTANTS FOR VESPID WASPS PHEROTECH INTERNATIONAL INC. (CA) 2008-07-24 US disclosed