Butane

Butane

SCHEMBL8745545

CCCC.O=P(O)(O)S.OP(S)S

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 8/20 0.36
LPAR3 Q9UBY5 6/20 0.35
LPAR2 Q9HBW0 3/20 0.35
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
CA2 P00918 1/20 0.32
LPAR1 Q92633 2/20 0.31
METAP1 P53582 1/20 0.31

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
Butane SCHEMBL515135 0.87 FDPS (0.43) FDPSLPAR3LPAR2MMP1MMP2
Butane SCHEMBL1502269 0.87
Butane SCHEMBL11127801 0.81
Alcohol SCHEMBL6239128 0.74 ALDH1A1 (0.46) FDPSLPAR3LPAR2MMP1MMP2
Phosphoric Acid SCHEMBL6827845 0.73 FDPS (0.47) FDPSLPAR3LPAR2MMP1MMP2
Phosphoric Acid SCHEMBL15540528 0.73 FDPS (0.47) FDPSLPAR3LPAR2MMP1MMP2
Phosphoric Acid SCHEMBL10935355 0.73 FDPS (0.47) FDPSLPAR3LPAR2MMP1MMP2
Phosphoric Acid SCHEMBL9588189 0.73 FDPS (0.47) FDPSLPAR3LPAR2MMP1MMP2
Phosphoric Acid SCHEMBL21081718 0.73 FDPS (0.47) FDPSLPAR3LPAR2MMP1MMP2
Phosphoric Acid SCHEMBL337762 0.73

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-0671917-A4 METHOD FOR INHIBITION OF CELL MOTILITY BY SPHINGOSINE-1-PHOSPHATE, ITS DERIVATIVES AND MIMETICS AND METHOD OF SYNTHESIZING SPHINGOSINE-1-PHOSPHATE AND ITS DERIVATIVES. BIOMEMBRANE INST (US) 1997-06-18 EP claimed
EP-0671917-A1 METHOD FOR INHIBITION OF CELL MOTILITY BY SPHINGOSINE-1-PHOSPHATE, ITS DERIVATIVES AND MIMETICS AND METHOD OF SYNTHESIZING SPHINGOSINE-1-PHOSPHATE AND ITS DERIVATIVES ONCOMEMBRANE, INC. (US) 1995-09-20 EP claimed
WO-1993019760-A1 METHOD FOR INHIBITION OF CELL MOTILITY BY SPHINGOSINE-1-PHOSPHATE, ITS DERIVATIVES AND MIMETICS AND METHOD OF SYNTHESIZING SPHINGOSINE-1-PHOSPHATE AND ITS DERIVATIVES THE BIOMEMBRANE INSTITUTE (US) 1993-10-14 WO claimed