Butane

Butane

SCHEMBL7718949

CC(CC(=O)O)P(=O)(O)O.CCCC

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.43
FDPS P14324 4/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
METAP1 P53582 1/20 0.38
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
GPR84 Q9NQS5 4/20 0.36
SLC22A6 Q4U2R8 1/20 0.35
FFAR3 O14843 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 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
SCHEMBL8646056 0.93 FOLH1 (0.48) FOLH1MEN1LMNAHPGDTSHR
Alcohol SCHEMBL1487744 0.91 FOLH1 (0.43) FOLH1FDPSMEN1LMNAHPGD
Butane SCHEMBL7716767 0.78 FOLH1 (0.50) FOLH1FDPSMEN1LMNAHPGD
Butane SCHEMBL7718879 0.78 FOLH1 (0.50) FOLH1FDPSMETAP1FFAR3HDAC3
SCHEMBL339669 0.78 FOLH1 (0.36) FOLH1FDPSGPR84
SCHEMBL2990302 0.78 FOLH1 (0.43) FOLH1MEN1LMNAHPGDTSHR
SCHEMBL338953 0.77 FOLH1 (0.39) FOLH1MEN1LMNAHPGDTSHR
Butane SCHEMBL7718872 0.77 FOLH1 (0.48) FOLH1FDPSMEN1LMNAHPGD
SCHEMBL28372519 0.76 FOLH1 (0.41) FOLH1MEN1LMNAHPGDTSHR
Butane SCHEMBL7715957 0.76 FOLH1 (0.42) FOLH1FDPSMEN1LMNAHPGD

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