Butane

Butane

SCHEMBL8632235

CCCC.O=P(O)(O)COCP(=O)(O)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.42
LPAR3 Q9UBY5 6/20 0.40
LPAR2 Q9HBW0 3/20 0.40
LAP3 P28838 1/20 0.36
LPAR1 Q92633 2/20 0.36
METAP1 P53582 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MMP2 P08253 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL2355129 0.87 KDM4E (0.44) FDPSLAP3KDM4EMMP2THRB
SCHEMBL264477 0.83
Butane SCHEMBL14675942 0.82 FDPS (0.42) FDPSLPAR3LPAR2LAP3LPAR1
SCHEMBL1573316 0.82
SCHEMBL28969669 0.80
SCHEMBL9261417 0.79 HPGD (0.59) FDPSLPAR3LPAR2LPAR1
SCHEMBL13695320 0.76 PPARD (0.33) FDPSLPAR3LPAR2LAP3KDM4E
SCHEMBL264330 0.76 ALDH1A1 (0.44) LPAR3LPAR2LPAR1THRB
SCHEMBL5844279 0.76 LPAR3 (0.57) FDPSLPAR3LPAR2LPAR1THRB
SCHEMBL11298274 0.76 TSHR (0.57) FDPSLPAR3LPAR2LPAR1THRB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726311-A IMMUNOSUPPRESSANTS BIOCRYST PHARMACEUTICALS, INC. (US) 1998-03-10 US disclosed
EP-0638080-A4 7-DISUBSTITUTED-METHYL-4-OXO-3H -,5H --PYRROLO 3,2-d -]PYRIMIDINE AND PHARMACEUTICAL USES AND COMPOSITIONS CONTAINING THE SAME. BIOCRYST PHARM INC (US) 1995-08-23 EP disclosed
EP-0500653-A4 INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE BIOCRYST INC (US) 1995-08-23 EP disclosed
EP-0638080-A1 7-DISUBSTITUTED-METHYL-4-OXO-3H -,5H --PYRROLO 3,2-d -]PYRIMIDINE AND PHARMACEUTICAL USES AND COMPOSITIONS CONTAINING THE SAME BIOCRYST PHARMACEUTICALS, INC. (US) 1995-02-15 EP disclosed
WO-1993021187-A1 7-DISUBSTITUTED-METHYL-4-OXO-3H^_,5H^_-PYRROLO[3,2-d^_]PYRIMIDINE AND PHARMACEUTICAL USES AND COMPOSITIONS CONTAINING THE SAME BIOCRYST PHARMACEUTICALS, INC. (US) 1993-10-28 WO disclosed
US-5189039-A 7-disubstituted-methyl-4-oxo-3H,5H-pyrrolo[3,2d]pyrimidine and pharmaceutical uses and compositions containing the same BIOCRYST, INC. (US) 1993-02-23 US disclosed
EP-0500653-A1 INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE BIOCRYST PHARMACEUTICALS INC. (US) 1992-09-02 EP disclosed
WO-1991006548-A1 INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE BIOCRYST, INC. (US) 1991-05-16 WO disclosed