SCHEMBL12228657

SCHEMBL12228657

CC(C)(Oc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.57
▸ PPARA Q07869 11/20 0.52
▸ PPARG P37231 6/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PPARD Q03181 2/20 0.50
▸ TSHR P16473 2/20 0.48
▸ FABP2 P12104 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TBXAS1 P24557 2/20 0.47
▸ SLC22A12 Q96S37 1/20 0.46
▸ MAOB P27338 1/20 0.45

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
SCHEMBL12228587 0.87 PPARA (0.64) FFAR1PPARAPPARGMEN1CYP1A2
SCHEMBL12228620 0.86 PPARA (0.68) FFAR1PPARAPPARGMEN1CYP1A2
SCHEMBL11449198 0.86 PPARA (0.68) FFAR1PPARAPPARGMEN1CYP1A2
SCHEMBL16303956 0.84 PPARA (0.57) FFAR1PPARAPPARGMEN1CYP1A2
SCHEMBL1304059 0.83 SMN1; SMN2 (0.54) PPARAPPARGMEN1CYP1A2CYP3A4
SCHEMBL9120807 0.83 PPARA (0.71) PPARAPPARGPPARDTSHRFABP2
SCHEMBL12202889 0.81 FFAR1 (0.47) FFAR1MEN1CYP3A4CYP2D6MAPT
SCHEMBL2517708 0.81 PPARG (0.59) FFAR1PPARAPPARGMEN1CYP1A2
SCHEMBL16303955 0.80 PPARA (0.52) PPARAPPARGMEN1CYP1A2CYP3A4
SCHEMBL6555955 0.78 PPARA (0.71) PPARAPPARGPPARDFABP2SMN1; SMN2

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-8034966-B1 Phenoxyisobutyric acid compounds and methods for synthesis Cell Viable Corporation (US) 2011-10-11 — — US disclosed
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