Butane

Butane

SCHEMBL7635963

CC1CN(ON2CC(C)OC(C)C2)CC(C)O1.CCCC

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
PDK1 Q15118 1/20 0.40
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2A13 Q16696 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL28728724 0.78 EBP (0.41) EBPSIGMAR1PDK1ALDH1A1HPGD
SCHEMBL13665465 0.74 PDK1 (0.38) EBPSIGMAR1PDK1ALDH1A1SMN1; SMN2
SCHEMBL8615922 0.71 EBP (0.31) EBPSIGMAR1
SCHEMBL10129761 0.70 SIGMAR1 (0.69) EBPSIGMAR1PDK1ALDH1A1HTT
SCHEMBL22858956 0.70 SIGMAR1 (0.69) EBPSIGMAR1PDK1ALDH1A1HTT
SCHEMBL10129057 0.70 SIGMAR1 (0.69) EBPSIGMAR1PDK1ALDH1A1HTT
SCHEMBL9922437 0.70 SIGMAR1 (0.69) EBPSIGMAR1PDK1ALDH1A1HTT
SCHEMBL4550370 0.69 SIGMAR1 (0.56) EBPSIGMAR1PDK1ALDH1A1HTT
SCHEMBL12125120 0.69 SIGMAR1 (0.56) EBPSIGMAR1PDK1ALDH1A1HTT
SCHEMBL12125047 0.69 SIGMAR1 (0.56) EBPSIGMAR1PDK1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223183-A1 Forming material body including granulated materials each coated with a moisture-curable urethane prepolymer Alcare Co., Ltd. (JP) 2002-07-17 EP disclosed
US-5527266-A MOISTURE-CURABLE; STORAGE STABILITY SAN-APRO LIMITED (JP) 1996-06-18 US disclosed