SCHEMBL1712247

SCHEMBL1712247

COCCCCCCCCCCCC=CC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
FAAH O00519 3/20 0.40
SOAT1 P35610 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
LPAR2 Q9HBW0 3/20 0.40
LPAR3 Q9UBY5 3/20 0.40
LPAR1 Q92633 2/20 0.40
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL17537014 0.92 MAPT (0.39) ALDH1A1MAPTFAAHSOAT1MEN1
SCHEMBL8742216 0.83 ALDH1A1 (0.50) ALDH1A1MAPTFAAHSOAT1MEN1
SCHEMBL2088482 0.83 ALDH1A1 (0.50) ALDH1A1MAPTFAAHSOAT1MEN1
SCHEMBL4806523 0.83 ALDH1A1 (0.50) ALDH1A1MAPTFAAHSOAT1MEN1
SCHEMBL3425033 0.83 ALDH1A1 (0.50) ALDH1A1MAPTFAAHSOAT1MEN1
SCHEMBL3425032 0.83 ALDH1A1 (0.50) ALDH1A1MAPTFAAHSOAT1MEN1
SCHEMBL4245664 0.83 ALDH1A1 (0.50) ALDH1A1MAPTFAAHSOAT1MEN1
SCHEMBL435734 0.83 ALDH1A1 (0.50) ALDH1A1MAPTFAAHSOAT1MEN1
SCHEMBL11335978 0.83 ALDH1A1 (0.50) ALDH1A1MAPTFAAHSOAT1MEN1
SCHEMBL2089612 0.83 ALDH1A1 (0.50) ALDH1A1MAPTFAAHSOAT1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343974-A2 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS Georgetown University (US) 2011-07-20 EP disclosed
WO-2010027641-A2 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS GEORGETOWN UNIVERSITY (US) 2010-03-11 WO disclosed
WO-2010019963-A2 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS GEORGETOWN UNIVERSITY (US) 2010-02-18 WO disclosed