Butane

Butane

SCHEMBL7715952

CC(C#N)P(=O)(O)O.CCCC

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 8/20 0.41
METAP1 P53582 2/20 0.39
LAP3 P28838 4/20 0.36
LPAR3 Q9UBY5 3/20 0.34
LPAR2 Q9HBW0 1/20 0.34
ANPEP P15144 2/20 0.33
ERAP1 Q9NZ08 1/20 0.33

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
SCHEMBL2779238 0.90
SCHEMBL5005860 0.76
Butane SCHEMBL7716695 0.74 FDPS (0.39) FDPSMETAP1LAP3LPAR3LPAR2
Butane SCHEMBL7715863 0.73 FDPS (0.38) FDPSMETAP1LAP3LPAR3LPAR2
Butane SCHEMBL7714644 0.73 FDPS (0.48) FDPSMETAP1LAP3
SCHEMBL20606630 0.72 TSHR (0.35) LAP3
SCHEMBL11793622 0.71 ACHE (0.39)
Phosphoric Acid SCHEMBL5804818 0.71 FDPS (0.38) FDPSMETAP1LPAR3LPAR2
Butane SCHEMBL6817226 0.71 FDPS (0.38) FDPSMETAP1LPAR3LPAR2
SCHEMBL11891895 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed