SCHEMBL13984041

SCHEMBL13984041

C=C(c1ccc(Cl)cc1)c1ccc(OC(C)(C)C(=O)NC(CON(O)O)(CON(O)O)CON(O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 9/20 0.45
▸ PPARG P37231 3/20 0.44
▸ FABP2 P12104 2/20 0.44
▸ SLC22A12 Q96S37 1/20 0.44
▸ CYP1A2 P05177 4/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CNR1 P21554 8/20 0.43
▸ CNR2 P34972 5/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ABCB11 O95342 2/20 0.41

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
SCHEMBL13984047 0.95 PPARA (0.43) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL12634588 0.91 PPARA (0.55) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL13983712 0.85 ALDH1A1 (0.45) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL13983873 0.80 PPARA (0.53) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL13983835 0.78 PPARA (0.56) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL13983696 0.78 PPARA (0.56) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL13983707 0.76 PPARA (0.53) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL12635844 0.76 PPARA (0.53) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL13983688 0.76 PPARA (0.53) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL13983691 0.76 PPARA (0.53) 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
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