SCHEMBL9312783

SCHEMBL9312783

CCCCN(C(=O)C1(C)CCc2c(C)c(OC(C)=O)c(C)c(C)c2O1)c1cc(C)cc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.46
TTPA P49638 3/20 0.45
ALOX5 P09917 2/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4A P27815 1/20 0.41
PDE3A Q14432 1/20 0.41
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL9314095 0.97 PSEN1 (0.49) PSEN1TTPAALOX5MEN1KMT2A
SCHEMBL9428067 0.91 TTPA (0.46) PSEN1TTPAALOX5MEN1KMT2A
SCHEMBL9257195 0.89 PSEN1 (0.47) PSEN1TTPAALOX5MEN1KMT2A
SCHEMBL9312736 0.88 PTGS1 (0.47) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9314106 0.87 MEN1 (0.47) PSEN1TTPAALOX5MEN1KMT2A
SCHEMBL9312773 0.86 TTPA (0.43) PSEN1TTPAALOX5MEN1KMT2A
SCHEMBL9427380 0.85 TTPA (0.46) PSEN1TTPAALOX5MEN1KMT2A
SCHEMBL9312818 0.84 PTGS1 (0.46) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9313477 0.84 TTPA (0.42) PSEN1TTPAALOX5MEN1KMT2A
SCHEMBL9314002 0.84 MEN1 (0.47) PSEN1TTPAALOX5MEN1KMT2A

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
US-5315017-A Peroxidation and eicosanoid biosynthesis inhibition ADIR ET COMPAGNIE (FR) 1994-05-24 US disclosed