Butane

Butane

SCHEMBL8660131

CCCC.Cn1c(=O)n(CCCCO[PH](=O)O)c(=O)c2[nH]cnc21

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 13/20 0.67
▸ PDE4B Q07343 13/20 0.67
▸ PDE4C Q08493 13/20 0.67
▸ PDE4D Q08499 13/20 0.67
▸ ADORA2A P29274 11/20 0.67
▸ ADORA2B P29275 10/20 0.57
▸ CHIT1 Q13231 1/20 0.54
▸ CHIA Q9BZP6 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ CFTR P13569 1/20 0.51

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 SCHEMBL8658759 0.99 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DADORA2A
Butane SCHEMBL8660047 0.97 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DADORA2A
Ammonia Solution, Strong SCHEMBL8660123 0.96 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DADORA2A
Ammonia Solution, Strong SCHEMBL8660128 0.96 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DADORA2A
Butane SCHEMBL8655301 0.90 ADORA2B (0.67) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381258 0.82 PDE4A (0.92) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7458212 0.81 PDE4A (0.89) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7109948 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8656750 0.80 PDE4A (0.87) PDE4APDE4BPDE4CPDE4DADORA2A
Butane SCHEMBL8657379 0.79 TNF (0.60) PDE4APDE4BPDE4CPDE4DADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728686-A TREATMENT OF MUSCULAR DYSTROPHY HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-17 — — US disclosed
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