SCHEMBL9312699

SCHEMBL9312699

C=CC(C)N(CCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
GSTP1 P09211 1/20 0.49
TTPA P49638 1/20 0.49
KMT2A Q03164 1/20 0.49
USP2 O75604 1/20 0.49
THRB P10828 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NR1I2 O75469 2/20 0.48
ALOX5 P09917 8/20 0.48
CYP4F2 P78329 1/20 0.42
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 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
SCHEMBL9312762 0.82 ALOX5 (0.46) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL9312868 0.81 ALOX5 (0.46) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL9312755 0.77 PTGS1 (0.55) TTPANR1I2ALOX5PTGS1PTGS2
SCHEMBL9314064 0.76 ALOX5 (0.44) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL9255192 0.76 PTGS1 (0.48) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL9313793 0.75 ALOX5 (0.47) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL9467233 0.74 ALOX5 (0.55) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL30859397 0.74 MAPT (0.57) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL8747784 0.74 MAPT (0.59) MAPTLMNAMEN1GSTP1TTPA
Bromide SCHEMBL361600 0.73 MAPT (0.56) MAPTLMNAMEN1GSTP1TTPA

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