Butane

Butane

SCHEMBL7716767

CC(CC(=O)O)CP(=O)(O)O.CCCC

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
FDPS P14324 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
METAP1 P53582 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL15965758 0.94 FOLH1 (0.56) FOLH1NAALAD2TDP1MEN1LMNA
Butane SCHEMBL7718872 0.82 FOLH1 (0.48) FOLH1NAALAD2FNTAFNTBFDPS
Butane SCHEMBL7715872 0.80 FOLH1 (0.53) FOLH1NAALAD2
Butane SCHEMBL7718949 0.78 FOLH1 (0.43) FOLH1FDPSTDP1MEN1LMNA
Butane SCHEMBL7714683 0.76 FOLH1 (0.47) FOLH1NAALAD2FNTAFNTBFDPS
SCHEMBL27488123 0.74 FOLH1 (0.39) FOLH1FDPSTDP1GABBR2GABBR1
SCHEMBL8281085 0.74 GABBR2 (0.43) FOLH1FDPSTDP1GABBR2GABBR1
SCHEMBL878885 0.73 FDPS (0.54) FDPSTSHRGABBR2GABBR1METAP1
Butane SCHEMBL7715957 0.72 FOLH1 (0.42) FOLH1FDPSTDP1MEN1LMNA
SCHEMBL2742769 0.72 FOLH1 (0.59) FOLH1NAALAD2

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