Butane

Butane

SCHEMBL7717026

CCCC.O=C(O)CCCCP(=O)(O)O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.58
LPAR2 Q9HBW0 1/20 0.58
AKR1B1 P15121 1/20 0.56
GPR84 Q9NQS5 7/20 0.54
PPARG P37231 7/20 0.54
PPARD Q03181 7/20 0.54
PPARA Q07869 7/20 0.54
HDAC11 Q96DB2 5/20 0.54
TSHR P16473 4/20 0.54
PTPN1 P18031 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TLR2 O60603 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
FABP4 P15090 2/20 0.54
KMT2A Q03164 2/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
MEN1 O00255 1/20 0.54
ESR1 P03372 1/20 0.54
ALOX15 P16050 1/20 0.54

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
Butane SCHEMBL7718806 0.93 LPAR3 (0.54) LPAR3LPAR2AKR1B1GPR84PPARG
SCHEMBL454023 0.91 LMNA (0.58) LPAR3LPAR2AKR1B1GPR84TSHR
SCHEMBL2519566 0.89 TSHR (0.60) LPAR3LPAR2GPR84PPARGPPARD
SCHEMBL4535332 0.89 TSHR (0.60) LPAR3LPAR2GPR84PPARGPPARD
SCHEMBL4533111 0.89 TSHR (0.60) LPAR3LPAR2GPR84PPARGPPARD
SCHEMBL2939530 0.89 TSHR (0.60) LPAR3LPAR2GPR84PPARGPPARD
SCHEMBL4536540 0.89 TSHR (0.60) LPAR3LPAR2GPR84PPARGPPARD
SCHEMBL4533190 0.89 TSHR (0.60) LPAR3LPAR2GPR84PPARGPPARD
SCHEMBL4531743 0.89 TSHR (0.60) LPAR3LPAR2GPR84PPARGPPARD
SCHEMBL20835969 0.89 TSHR (0.60) LPAR3LPAR2GPR84PPARGPPARD

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