SCHEMBL9312754

SCHEMBL9312754

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)NCc1ccco1)O2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.60
ALOX5 P09917 1/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 4/20 0.44
PDE4A P27815 1/20 0.43
PDE3A Q14432 1/20 0.43
PSEN1 P49768 3/20 0.42
HPGD P15428 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
TSHR P16473 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL9255923 0.92 TTPA (0.51) TTPAALOX5MEN1KMT2AALDH1A1
SCHEMBL9312898 0.87 PTGS1 (0.56) ALDH1A1BCHEACHETSHRPTGS1
SCHEMBL9314038 0.83 TTPA (0.59) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9313720 0.82 TTPA (0.58) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9312772 0.79 TTPA (0.76) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9252607 0.79 TTPA (0.57) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL2059270 0.78 TTPA (0.67) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9656538 0.78 TTPA (0.64) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9250008 0.78 TTPA (0.56) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9312780 0.77 TTPA (0.66) 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