SCHEMBL9314941

SCHEMBL9314941

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.61
ALOX5 P09917 2/20 0.53
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE4A P27815 1/20 0.47
PDE3A Q14432 1/20 0.47
PSEN1 P49768 10/20 0.44
CAPN1 P07384 1/20 0.37

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
SCHEMBL9656005 0.89 TTPA (0.60) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL2058220 0.84 PTGS1 (0.68) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL7837337 0.82 TTPA (0.63) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL2059457 0.82 PTGS1 (0.66) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL11705224 0.82 PTGS1 (0.66) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL11701874 0.82 PTGS1 (0.66) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL11706439 0.81 TTPA (0.58) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL11707766 0.81 TTPA (0.58) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL8544235 0.81 TTPA (0.58) TTPAALOX5PTGS1PTGS2CYP1A2
Hydrochloric Acid SCHEMBL11702891 0.81 PTGS1 (0.64) TTPAALOX5PTGS1PTGS2CYP1A2

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