SCHEMBL8201800

SCHEMBL8201800

CCCCCCCCC=CCCCCCCCCONCCC

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.51
LPAR1 Q92633 1/20 0.47
LPAR2 Q9HBW0 1/20 0.47
LPAR3 Q9UBY5 1/20 0.47
FAAH O00519 3/20 0.45
TRPV1 Q8NER1 2/20 0.45
EPHX2 P34913 1/20 0.44
CNR2 P34972 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
SCHEMBL9351056 1.00 PPARA (0.51) PPARALPAR1LPAR2LPAR3FAAH
Bromide SCHEMBL28559142 0.98 PPARA (0.50) PPARALPAR1LPAR2LPAR3FAAH
Bromide SCHEMBL28566280 0.94 PPARA (0.50) PPARALPAR1LPAR2LPAR3FAAH
SCHEMBL24569080 0.92 PPARA (0.51) PPARALPAR1LPAR2LPAR3FAAH
SCHEMBL7920142 0.88 CA1 (0.41) PPARAEPHX2
SCHEMBL179762 0.88 CA1 (0.41) PPARAEPHX2
SCHEMBL446394 0.88 CA1 (0.41) PPARAEPHX2
SCHEMBL3831317 0.88 CA1 (0.41) PPARAEPHX2
SCHEMBL444025 0.88 CA1 (0.41) PPARAEPHX2
SCHEMBL10822147 0.88 CA1 (0.41) PPARAEPHX2

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-1003711-A1 NOVEL LIPOPOLYAMINES, AND THE PREPARATION AND USE THEREOF Biontex Laboratories GmbH (DE) 2000-05-31 EP disclosed
WO-1999008997-A1 NOVEL LIPOPOLYAMINES, AND THE PREPARATION AND USE THEREOF BIONTEX LABORATORIES GMBH (DE) 1999-02-25 WO disclosed