SCHEMBL4755982

SCHEMBL4755982

[CH2]OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.70
PPARG P37231 4/20 0.70
FABP2 P12104 2/20 0.70
SLC22A12 Q96S37 1/20 0.70
CYP1A2 P05177 4/20 0.70
CYP3A4 P08684 4/20 0.70
CYP2C19 P33261 3/20 0.70
MAPT P10636 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
ABCB11 O95342 2/20 0.70
TSHR P16473 2/20 0.70
HTR2A P28223 2/20 0.70
PMP22 Q01453 2/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
HPGD P15428 2/20 0.70
CYP2C9 P11712 2/20 0.70
MAPK1 P28482 2/20 0.70
USP2 O75604 2/20 0.70
LMNA P02545 1/20 0.70

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
SCHEMBL4755987 0.86 PPARA (0.72) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL823203 0.85 PPARA (0.70) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL21351478 0.83 PPARA (0.72) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL13984052 0.83 PPARA (0.77) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL822492 0.83 PPARA (0.77) PPARAPPARGFABP2SLC22A12CYP1A2
Fenofibric Acid SCHEMBL16377 0.83 PPARA (1.00) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL4753527 0.82 PPARA (0.67) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL12634727 0.82 PPARA (0.67) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL12573590 0.82 PPARA (0.67) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL12573936 0.82 PPARA (0.86) PPARAPPARGFABP2SLC22A12CYP1A2

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
WO-2008157537-A2 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC (US) 2008-12-24 WO disclosed