SCHEMBL12833372

SCHEMBL12833372

CCCCCC(=O)/C=C\C(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.61
POLB P06746 1/20 0.58
POLA1 P09884 1/20 0.58
PPARG P37231 6/20 0.52
PPARA Q07869 6/20 0.52
KDM4E B2RXH2 1/20 0.51
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
ALOX12 P18054 1/20 0.47
AKR1B1 P15121 1/20 0.46
HSP90AA1 P07900 1/20 0.45
APP P05067 1/20 0.45
PPARD Q03181 4/20 0.44
TSHR P16473 3/20 0.44
GPR84 Q9NQS5 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44

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
SCHEMBL2600386 1.00 TRPA1 (0.61) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL6060342 0.98 POLB (0.61) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL2081591 0.93 TRPA1 (0.52) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL2081595 0.93 TRPA1 (0.52) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL30705405 0.88 POLB (0.70) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL10808215 0.88 POLB (0.70) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL30705404 0.88 POLB (0.70) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL10808210 0.88 POLB (0.70) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL12257167 0.83 IAPP (0.41) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL14401623 0.83 IAPP (0.41) TRPA1POLBPOLA1PPARGPPARA

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-2289974-A2 Polyhedral oligomeric silsesquioxane image conditioning coating Xerox Corporation (US) 2011-03-02 EP disclosed