SCHEMBL9314951

SCHEMBL9314951

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)Nc1ccc3ccccc3c1)O2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.52
ALOX5 P09917 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PSEN1 P49768 4/20 0.42
PDE4A P27815 1/20 0.41
PDE3A Q14432 1/20 0.41
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL9254423 0.91 TTPA (0.47) TTPAALOX5MEN1KMT2AKDM4E
SCHEMBL9252607 0.88 TTPA (0.57) TTPAALOX5MEN1KMT2ACYP1A2
SCHEMBL9312815 0.87 PTGS1 (0.58) MEN1KMT2AKDM4EMAPTCYP1A2
SCHEMBL7836851 0.85 TTPA (0.51) TTPAALOX5MEN1KMT2AMAPT
SCHEMBL9314925 0.83 TTPA (0.51) TTPAALOX5MEN1KMT2ACYP1A2
SCHEMBL9250008 0.81 TTPA (0.56) TTPAALOX5MEN1KMT2ACYP1A2
SCHEMBL9010322 0.80 TTPA (0.54) TTPAALOX5MEN1KMT2ACYP1A2
SCHEMBL9010317 0.80 TTPA (0.54) TTPAALOX5MEN1KMT2ACYP1A2
SCHEMBL9655145 0.80 BCHE (0.49) TTPAALOX5BCHEACHE
SCHEMBL9314876 0.79 TTPA (0.55) TTPAALOX5MEN1KMT2ACYP1A2

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