Butyl Alcohol

Butyl Alcohol

SCHEMBL8987802

CCCCO.CCCO.C[N+](=O)[O-]

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CES2 O00748 5/20 0.38
CES1 P23141 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARG P37231 5/20 0.34
PPARA Q07869 1/20 0.34
TRPA1 O75762 1/20 0.34
FBP1 P09467 1/20 0.34

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
Butyl Alcohol SCHEMBL8578461 0.97 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
Butyl Alcohol SCHEMBL8416584 0.97
Butyl Alcohol SCHEMBL11272006 0.90 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
Propanol SCHEMBL23711832 0.89
Propanol SCHEMBL8681417 0.89 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
Butyl Alcohol SCHEMBL29163696 0.86 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
Butyl Alcohol SCHEMBL28781692 0.86 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
Butyl Alcohol SCHEMBL28738332 0.86 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
Butyl Alcohol SCHEMBL10638187 0.86
Butyl Alcohol SCHEMBL28716580 0.86 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10

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-0719286-A1 DEXTRAN ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE FOR ENCASING AND ENCAPSULATING MEDICAMENTS BASF AKTIENGESELLSCHAFT (DE) 1996-07-03 EP disclosed
WO-1995007936-A1 DEXTRANE ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE FOR ENCASING AND ENCAPSULATING MEDICAMENTS BASF AKTIENGESELLSCHAFT (DE) 1995-03-23 WO disclosed