SCHEMBL8617484

SCHEMBL8617484

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCc1cccc(OCCCC(C)(C)C(=O)O)c1)O2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.47
NR1I2 O75469 2/20 0.45
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GSTP1 P09211 1/20 0.42
TTPA P49638 1/20 0.42
USP2 O75604 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP4F2 P78329 1/20 0.41
PPARG P37231 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL8039151 0.91 PSEN1 (0.42) ALOX5MEN1KMT2A
SCHEMBL8616733 0.86 ALOX5 (0.51) ALOX5NR1I2MAPTLMNAMEN1
SCHEMBL8767474 0.78 ALOX5 (0.51) ALOX5NR1I2MAPTLMNAMEN1
SCHEMBL8767480 0.78 ALOX5 (0.51) ALOX5NR1I2MAPTLMNAMEN1
SCHEMBL9467277 0.77 ALOX5 (0.60) ALOX5NR1I2MAPTLMNAMEN1
SCHEMBL8618675 0.75 PPARA (0.42) ALOX5MAPTMEN1KMT2ATTPA
SCHEMBL8768724 0.75 ALOX5 (0.49) ALOX5NR1I2MAPTLMNAMEN1
SCHEMBL9467233 0.72 ALOX5 (0.55) ALOX5NR1I2MAPTLMNAMEN1
SCHEMBL8923418 0.72 ALOX5 (0.47) ALOX5NR1I2MAPTLMNAMEN1
SCHEMBL8923422 0.72 ALOX5 (0.47) ALOX5NR1I2MAPTLMNAMEN1

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-5734077-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS, TREATMENT OF DIABETES AND ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 1998-03-31 US disclosed