SCHEMBL9312868

SCHEMBL9312868

C=CC(C)N(C(=O)CC1(C)CCc2c(C)c(O)c(C)c(C)c2O1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.46
NR1I2 O75469 2/20 0.46
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43
GSTP1 P09211 1/20 0.43
TTPA P49638 1/20 0.43
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARG P37231 1/20 0.42

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
SCHEMBL9313511 0.88 MEN1 (0.49) ALOX5MEN1TTPAKMT2APPARG
SCHEMBL9312755 0.85 PTGS1 (0.55) ALOX5NR1I2PTGS1PTGS2CYP1A2
SCHEMBL9313793 0.83 ALOX5 (0.47) ALOX5NR1I2MAPTLMNAPTGS1
SCHEMBL9312699 0.81 MAPT (0.49) ALOX5NR1I2MAPTLMNAPTGS1
SCHEMBL9255192 0.80 PTGS1 (0.48) ALOX5NR1I2MAPTLMNAPTGS1
SCHEMBL9096916 0.75 CYP3A4 (0.56) ALOX5NR1I2MAPTLMNAPTGS1
SCHEMBL9094963 0.75 CYP3A4 (0.56) ALOX5NR1I2MAPTLMNAPTGS1
SCHEMBL9314064 0.75 ALOX5 (0.44) ALOX5NR1I2MAPTLMNAPTGS1
SCHEMBL11707684 0.75 ALOX5 (0.51) ALOX5NR1I2MAPTLMNAPTGS1
SCHEMBL11706911 0.75 ALOX5 (0.51) ALOX5NR1I2MAPTLMNAPTGS1

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