SCHEMBL13983837

SCHEMBL13983837

C=C(O)CNC(=O)C(C)(C)Oc1ccc(C(=C)c2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 8/20 0.52
▸ FABP2 P12104 2/20 0.52
▸ PPARG P37231 2/20 0.52
▸ SLC22A12 Q96S37 1/20 0.52
▸ MAPT P10636 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ PPARD Q03181 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49
▸ CYP2C9 P11712 1/20 0.47
▸ CNR1 P21554 7/20 0.47

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
SCHEMBL13983696 0.83 PPARA (0.56) PPARAFABP2PPARGSLC22A12MAPT
SCHEMBL11714726 0.83 PPARA (0.61) PPARAFABP2PPARGSLC22A12MAPT
SCHEMBL4755781 0.82 PPARA (0.66) PPARAFABP2PPARGSLC22A12MAPT
SCHEMBL10270139 0.81 PPARA (0.78) PPARAFABP2PPARGSLC22A12MAPT
SCHEMBL11716530 0.80 MAPT (0.59) PPARAFABP2PPARGSLC22A12MAPT
SCHEMBL21413784 0.80 PPARA (0.62) PPARAFABP2PPARGSLC22A12MAPT
SCHEMBL15682195 0.79 ALDH1A1 (0.52) PPARAFABP2PPARGSLC22A12MAPT
SCHEMBL13983712 0.78 ALDH1A1 (0.45) PPARAFABP2PPARGSLC22A12MAPT
SCHEMBL13983694 0.78 PPARA (0.59) PPARAFABP2PPARGSLC22A12MAPT
SCHEMBL11712579 0.78 PPARA (0.55) PPARAFABP2PPARGSLC22A12MAPT

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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