Butane

Butane

SCHEMBL7716702

CCCC.N#CCCC(Cc1ccccc1)P(=O)(O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.44
ANPEP P15144 3/20 0.44
ACP3 P15309 3/20 0.43
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
CTSL P07711 2/20 0.39
ERAP1 Q9NZ08 2/20 0.39
ERAP2 Q6P179 1/20 0.39
CTSB P07858 1/20 0.37
MAOB P27338 1/20 0.37
CTSC P53634 1/20 0.36

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
SCHEMBL7716708 0.79 POLB (0.43) LAP3CTSSCTSKCTSLMAOB
SCHEMBL11500954 0.77 CSNK1E (0.52) LAP3ANPEPACP3
Butane SCHEMBL7718936 0.76 FDPS (0.39) LAP3
Butane SCHEMBL7717185 0.76 FDPS (0.43) LAP3
SCHEMBL7742563 0.76 LAP3 (0.64) LAP3ANPEPACP3ERAP1ERAP2
SCHEMBL7716710 0.73 LAP3 (0.43) LAP3ANPEPACP3CTSSCTSK
Biphenyl SCHEMBL27688558 0.72 HPGD (0.41) ACP3CTSSCTSKCTSB
SCHEMBL11501235 0.71 CSNK1E (0.47) LAP3ANPEPACP3
SCHEMBL9331331 0.70 CTSS (0.51) CTSSCTSKCTSLCTSBCTSC
SCHEMBL7933630 0.70 MAOB (0.50) CTSSCTSKMAOB

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