Butane

Butane

SCHEMBL4602907

CCCC.O=CCP(=O)(O)O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.40
LPAR3 Q9UBY5 3/20 0.39
LPAR2 Q9HBW0 1/20 0.39
ALDH1A1 P00352 2/20 0.36
S1PR2 O95136 5/20 0.35
S1PR4 O95977 5/20 0.35
S1PR1 P21453 5/20 0.35
S1PR3 Q99500 5/20 0.35
ANPEP P15144 1/20 0.35
S1PR5 Q9H228 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LAP3 P28838 1/20 0.35
METAP1 P53582 1/20 0.34

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
SCHEMBL261595 0.88
SCHEMBL11080729 0.85
Water SCHEMBL27610138 0.85
SCHEMBL28487733 0.85
Butane SCHEMBL5154606 0.82 LMNA (0.44) FDPSANPEPMETAP1
Butane SCHEMBL15477594 0.76 FDPS (0.39) FDPSLPAR3LPAR2ALDH1A1LAP3
Phosphoric Acid SCHEMBL15540528 0.71 FDPS (0.47) FDPSLPAR3LPAR2MAPK1LAP3
Phosphoric Acid SCHEMBL9588189 0.71 FDPS (0.47) FDPSLPAR3LPAR2MAPK1LAP3
Phosphoric Acid SCHEMBL337762 0.71
Phosphoric Acid SCHEMBL10935355 0.71 FDPS (0.47) FDPSLPAR3LPAR2MAPK1LAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727814-B1 NUCLEOSIDE ANALOGUES WITH ANTIVIRAL ACTIVITY UNIV CATANIA (IT) 2008-04-30 EP disclosed
EP-1727814-A1 NUCLEOSIDE ANALOGUES WITH ANTIVIRAL ACTIVITY Universita' Degli Studi Di Catania (IT) 2006-12-06 EP disclosed
WO-2005082896-A1 NUCLEOSIDE ANALOGUES WITH ANTIVIRAL ACTIVITY UNIVERSITA' DEGLI STUDI DI CATANIA (IT) 2005-09-09 WO disclosed