Butane

Butane

SCHEMBL11090167

CCCC.COC1CC(=O)NC1=O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
MAP3K14 Q99558 1/20 0.39
CRBN Q96SW2 7/20 0.37
DDB1 Q16531 5/20 0.37
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL1034864 0.92
Succinic Acid SCHEMBL29506593 0.82 ITGB3 (0.35) NPC1MAP3K14CRBNDDB1GAA
SCHEMBL5318696 0.78 NPC1 (0.44) NPC1MAP3K14CRBNDDB1GAA
SCHEMBL9510783 0.78 MAP3K14 (0.40) NPC1MAP3K14CRBNDDB1GAA
Propane SCHEMBL11082339 0.76 MAP3K14 (0.39) NPC1MAP3K14CRBNDDB1GAA
SCHEMBL28153842 0.74 NPC1 (0.48) NPC1MAP3K14CRBNDDB1LMNA
SCHEMBL10754755 0.73 MAP3K14 (0.48) NPC1MAP3K14CRBNDDB1GAA
SCHEMBL8348991 0.73 MAP3K14 (0.48) NPC1MAP3K14CRBNDDB1GAA
SCHEMBL114367 0.73 NPC1 (0.36) NPC1MAP3K14CRBNDDB1GAA
Butane SCHEMBL11081473 0.73 GLA (0.41) NPC1MAP3K14CRBNDDB1GAA

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-4460782-A FUNGICIDES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1984-07-17 US disclosed