SCHEMBL8924642

SCHEMBL8924642

CC(C)(Oc1ccc(C(O)CSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.43
VCAM1 P19320 5/20 0.42
PPARA Q07869 9/20 0.42
PPARG P37231 6/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARD Q03181 3/20 0.40
LMNA P02545 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
FABP2 P12104 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36

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
SCHEMBL8924650 1.00 ADRB3 (0.43) ADRB3VCAM1PPARAPPARGMEN1
SCHEMBL11605148 0.84 ALOX15 (0.49) VCAM1MEN1CYP1A2CYP3A4MAPT
SCHEMBL8923401 0.81 ADRB3 (0.45) ADRB3VCAM1PPARAPPARGMEN1
SCHEMBL8923395 0.81 ADRB3 (0.45) ADRB3VCAM1PPARAPPARGMEN1
SCHEMBL8767800 0.81 PPARA (0.52) PPARAPPARGMEN1CYP1A2CYP3A4
SCHEMBL8767310 0.80 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL8923438 0.79 PPARA (0.44) VCAM1PPARAPPARGMEN1CYP1A2
SCHEMBL8768773 0.79 PPARA (0.54) PPARAPPARGPPARD
Tert-Butylamine SCHEMBL8924062 0.77 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL8767430 0.77 PPARA (0.56) 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