SCHEMBL8923401

SCHEMBL8923401

CC(C)(Oc1ccc([C@@H](O)COc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.45
PPARA Q07869 11/20 0.44
PPARG P37231 10/20 0.44
PPARD Q03181 5/20 0.43
CYP3A4 P08684 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
VCAM1 P19320 1/20 0.39
FABP2 P12104 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
CYP26A1 O43174 1/20 0.38
CYP26B1 Q9NR63 1/20 0.38

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
SCHEMBL8923395 1.00 ADRB3 (0.45) ADRB3PPARAPPARGPPARDCYP3A4
SCHEMBL8922796 0.87 PPARA (0.45) PPARAPPARGPPARDCYP3A4MEN1
SCHEMBL8922791 0.87 PPARA (0.45) PPARAPPARGPPARDCYP3A4MEN1
SCHEMBL8923974 0.82 PPARG (0.52) PPARAPPARGPPARDCYP3A4MEN1
SCHEMBL8924642 0.81 ADRB3 (0.43) ADRB3PPARAPPARGPPARDCYP3A4
SCHEMBL8924650 0.81 ADRB3 (0.43) ADRB3PPARAPPARGPPARDCYP3A4
SCHEMBL8924029 0.78 PPARG (0.64) PPARAPPARGPPARD
SCHEMBL9517990 0.77 CA2 (0.55) PPARAPPARGCYP3A4MEN1CYP1A2
Tert-Butylamine SCHEMBL8924048 0.75 PPARG (0.43) PPARAPPARGPPARDCYP3A4MEN1
SCHEMBL8923846 0.75 PPARG (0.59) PPARAPPARGPPARD

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-5627205-A ANTILIPEMIC AGENTS AND ANTIOXIDANTS ADIR ET COMPAGNIE (FR) 1997-05-06 US disclosed