Butane

Butane

SCHEMBL7715872

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

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.53
NAALAD2 Q9Y3Q0 1/20 0.53
GRM3 Q14832 2/20 0.44
MAPT P10636 1/20 0.42
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42

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
SCHEMBL2742769 0.94 FOLH1 (0.59) FOLH1NAALAD2GRM3GABRPGABRD
Butane SCHEMBL7716767 0.80 FOLH1 (0.50) FOLH1NAALAD2
Butane SCHEMBL7718879 0.80 FOLH1 (0.50) FOLH1NAALAD2GRM3GABRPGABRD
SCHEMBL878885 0.79 FDPS (0.54)
SCHEMBL27431059 0.76 FOLH1 (0.60) FOLH1NAALAD2GRM3MAPTGABRP
SCHEMBL24180327 0.75 DGKA (0.38)
SCHEMBL3120866 0.74 MAPT (0.55) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL301262 0.74 MAPT (0.55) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL1198338 0.74 MAPT (0.55) MAPTGABRPGABRDGABRA1GABRB1
Butane SCHEMBL7718903 0.74 FOLH1 (0.48) FOLH1NAALAD2GRM3GGH

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