SCHEMBL8616733

SCHEMBL8616733

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCCOc1ccc(OCCCC(C)(C)C(=O)O)cc1)O2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.51
NR1I2 O75469 2/20 0.51
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GSTP1 P09211 1/20 0.48
TTPA P49638 1/20 0.48
USP2 O75604 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP4F2 P78329 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 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

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
SCHEMBL8617484 0.86 ALOX5 (0.47) ALOX5NR1I2MAPTLMNAMEN1
SCHEMBL8618675 0.82 PPARA (0.42) ALOX5MAPTMEN1KMT2ATTPA
SCHEMBL8768724 0.78 ALOX5 (0.49) ALOX5NR1I2MAPTLMNAMEN1
SCHEMBL8768719 0.78 ALOX5 (0.49) ALOX5NR1I2MAPTLMNAMEN1
SCHEMBL9558644 0.78 CYP4F2 (0.49) ALOX5NR1I2MAPTLMNAMEN1
SCHEMBL8767474 0.78 ALOX5 (0.51) ALOX5NR1I2MAPTLMNAMEN1
SCHEMBL8767480 0.78 ALOX5 (0.51) ALOX5NR1I2MAPTLMNAMEN1
SCHEMBL9075891 0.77 MAPT (0.50) ALOX5NR1I2MAPTLMNAMEN1
Iodide SCHEMBL9225364 0.77 CYP4F2 (0.49) ALOX5NR1I2MAPTLMNAMEN1
Hydrochloric Acid SCHEMBL9075304 0.77 CYP4F2 (0.49) 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