SCHEMBL8042336

SCHEMBL8042336

CC(C)C(=O)C(C)(C)CO.CC(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
TP53 P04637 1/20 0.33
GRIK1 P39086 1/20 0.31
GABRR1 P24046 2/20 0.30
RNPEP Q9H4A4 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC7A5 Q01650 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
SCHEMBL3676347 0.93 CYP1A2 (0.38) CYP1A2ALDH1A1
SCHEMBL9506351 0.77 ALDH1A1 (0.32) TP53ALDH1A1
SCHEMBL1636728 0.77 TP53 (0.38) CYP1A2TP53GABRR1RNPEPALDH1A1
SCHEMBL7934758 0.77 TP53 (0.38) CYP1A2TP53GABRR1RNPEPALDH1A1
Oxalic Acid SCHEMBL29991539 0.76 TP53 (0.53) CYP1A2TP53GABRR1RNPEPALDH1A1
SCHEMBL28610519 0.74 GABRR1 (0.40) CYP1A2TP53GABRR1RNPEPALDH1A1
SCHEMBL11365409 0.74 GABRR1 (0.40) CYP1A2TP53GABRR1RNPEPALDH1A1
SCHEMBL11363406 0.74 GABRR1 (0.40) CYP1A2TP53GABRR1RNPEPALDH1A1
SCHEMBL18893563 0.74 CYP1A2 (0.39) CYP1A2
SCHEMBL13911892 0.73 CYP1A2 (0.43) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0989895-A1 PROCESS FOR IMPROVING THE ODOR OF COMMERCIAL SOLVENT USED IN FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-04-05 EP claimed
WO-1998057721-A1 PROCESS FOR IMPROVING THE ODOR OF COMMERCIAL SOLVENT USED IN FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-12-23 WO claimed
EP-0989895-A1 PROCESS FOR IMPROVING THE ODOR OF COMMERCIAL SOLVENT USED IN FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-04-05 EP disclosed
WO-1998057721-A1 PROCESS FOR IMPROVING THE ODOR OF COMMERCIAL SOLVENT USED IN FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-12-23 WO disclosed