SCHEMBL9314867

SCHEMBL9314867

C=CC(C)N(C(=O)C1(C)CCc2c(C)c(OC(C)=O)c(C)c(C)c2O1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.44
ALOX5 P09917 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE4A P27815 1/20 0.44
PDE3A Q14432 1/20 0.44
PSEN1 P49768 10/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
PTPN1 P18031 1/20 0.35
GSTO1 P78417 1/20 0.35

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
SCHEMBL9268591 0.92 TTPA (0.43) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9312755 0.87 PTGS1 (0.55) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL9313511 0.86 MEN1 (0.49) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9312819 0.85 MEN1 (0.40) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9314035 0.83 TTPA (0.47) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9314929 0.80 TTPA (0.46) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9312743 0.78 MEN1 (0.33) MEN1KMT2APDE4APDE3A
SCHEMBL9314914 0.78 PSEN1 (0.52) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9314093 0.77 TTPA (0.47) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9314872 0.76 TTPA (0.43) TTPAALOX5MEN1KMT2APDE4A

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