SCHEMBL9314920

SCHEMBL9314920

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)NC1(C)COC(C)(C)OC1)O2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTPA P49638 3/20 0.58
ALOX5 P09917 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PDE4A P27815 1/20 0.48
PDE3A Q14432 1/20 0.48
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
PSEN1 P49768 10/20 0.42
PTPN1 P18031 1/20 0.36
GSTO1 P78417 1/20 0.36
CAPN1 P07384 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
SCHEMBL9249992 0.89 TTPA (0.52) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9313664 0.86 PTGS1 (0.62) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL7837337 0.82 TTPA (0.63) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9314941 0.81 TTPA (0.61) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9314069 0.80 MEN1 (0.55) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL11705224 0.80 PTGS1 (0.66) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL2059457 0.80 PTGS1 (0.66) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL11701874 0.80 PTGS1 (0.66) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL8544235 0.78 TTPA (0.58) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL11707766 0.78 TTPA (0.58) 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 2 patents. 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
EP-0512899-A1 Benzopyran compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-11-11 EP disclosed