SCHEMBL12820643

SCHEMBL12820643

CC/C=C\C=C/CC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.43
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARA Q07869 2/20 0.36
OXER1 Q8TDS5 4/20 0.32
CYP19A1 P11511 2/20 0.32
RXRA P19793 2/20 0.32
PPARG P37231 2/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 1/20 0.32
FPR2 P25090 1/20 0.31
F7 P08709 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
F3 P13726 1/20 0.30
PTGS1 P23219 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARD Q03181 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
SCHEMBL1740613 0.84 PPARA (0.52) ALDH1A1TDP1PPARAOXER1CYP19A1
SCHEMBL1740614 0.84 PPARA (0.52) ALDH1A1TDP1PPARAOXER1CYP19A1
SCHEMBL801900 0.83
SCHEMBL839630 0.83
SCHEMBL839631 0.83
SCHEMBL10262569 0.79
SCHEMBL11022269 0.79 ALDH1A1 (0.55) TRPA1ALDH1A1TDP1PPARAOXER1
SCHEMBL7057099 0.79 ALDH1A1 (0.55) TRPA1ALDH1A1TDP1PPARAOXER1
SCHEMBL19759832 0.77 ALDH1A1 (0.52) TRPA1ALDH1A1TDP1PPARAOXER1
SCHEMBL13819787 0.77 ALDH1A1 (0.50) ALDH1A1TDP1PPARAOXER1CYP19A1

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
EP-2301911-A1 PROCESS FOR PRODUCING OSELTAMIVIR PHOSPHATE AND INTERMEDIATE COMPOUND Tokyo University Of Science Educational Foundation Administrative Organization (JP) 2011-03-30 EP disclosed