SCHEMBL11288604

SCHEMBL11288604

CC(C)(C)C(O)O.CCOC(C)OCC

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.33

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
Isopropyl Alcohol SCHEMBL5499438 0.83 LMNA (0.80) LMNATSHRTHRB
SCHEMBL9295759 0.81 LMNA (0.67) LMNATHRBMAPK1
SCHEMBL433908 0.80 LMNA (0.75) LMNATSHRTHRB
Methyl Alcohol SCHEMBL5434659 0.80 LMNA (0.86) LMNATSHRTHRB
SCHEMBL2094168 0.80 LMNA (1.00) LMNATHRB
SCHEMBL9459 0.80
SCHEMBL21808999 0.78 LMNA (0.71) LMNATSHRTHRB
Hydroxyamine SCHEMBL7122122 0.77 LMNA (0.80) LMNATSHRTHRB
Alcohol SCHEMBL1490179 0.77 LMNA (0.80) LMNATSHRTHRB
SCHEMBL723007 0.77 LMNA (0.60) LMNATHRB

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-0067601-A1 Tobacco treatment process R.J. REYNOLDS TOBACCO COMPANY (US) 1982-12-22 EP disclosed
US-4128101-A Tobacco compositions containing 3-ethoxy-4-hydroxybenzaldehyde 2,2-dimethyl propanediol acetal FRITZSCHE DODGE & OLCOTT INC. (US) 1978-12-05 US disclosed