Butane

Butane

SCHEMBL7716649

CCCC.O=C(O)CC(CP(=O)(O)O)c1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.53
GABBR1 Q9UBS5 1/20 0.53
MAPT P10636 3/20 0.48
SRC P12931 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
CYP1A2 P05177 2/20 0.41
FOLH1 Q04609 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
ACP3 P15309 1/20 0.40
GAA P10253 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39

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
SCHEMBL2223719 0.93 GABBR2 (0.59) GABBR2GABBR1MAPTSRCMEN1
SCHEMBL9227043 0.78 MAPT (0.58) GABBR2GABBR1MAPTLMNANPSR1
Butane SCHEMBL7717079 0.78 SRC (0.41) MAPTSRCCYP1A2LMNATHRB
SCHEMBL28346014 0.78 GABBR2 (0.61) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL2292396 0.78 GABBR2 (0.61) GABBR2GABBR1MAPTMEN1KMT2A
Alcohol SCHEMBL28575312 0.77 GABBR2 (0.66) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL6174106 0.77 GABBR2 (0.66) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL240789 0.77 GABBR2 (0.66) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL2484805 0.77 GABBR2 (0.66) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL503819 0.76 GABBR2 (0.76) GABBR2GABBR1MAPTMEN1KMT2A

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