SCHEMBL12954039

SCHEMBL12954039

CC(C)(Oc1ccccc1CCNCCOc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.58
▸ DRD2 P14416 4/20 0.51
▸ DRD4 P21917 4/20 0.51
▸ DRD3 P35462 4/20 0.51
▸ PPARG P37231 11/20 0.49
▸ PPARA Q07869 8/20 0.49
▸ PPARD Q03181 5/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ FABP2 P12104 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SLC22A12 Q96S37 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL1010345 0.94 DRD4 (0.55) TAAR1DRD2DRD4DRD3PPARG
SCHEMBL12953103 0.92 PPARG (0.50) TAAR1DRD2DRD4DRD3PPARG
SCHEMBL1010079 0.86 KMT2A (0.54) TAAR1PPARGPPARAPPARDMEN1
SCHEMBL12953477 0.85 DRD2 (0.51) DRD2DRD4DRD3PPARGMEN1
SCHEMBL12953100 0.82 PPARA (0.68) TAAR1PPARGPPARAPPARDMEN1
SCHEMBL12953438 0.82 KMT2A (0.50) DRD2DRD4DRD3PPARGMEN1
SCHEMBL12954041 0.80 TAAR1 (0.63) TAAR1DRD2DRD4DRD3PPARG
SCHEMBL8108539 0.79 PPARA (0.65) PPARGPPARAPPARDMEN1KMT2A
SCHEMBL12953097 0.77 PPARG (0.71) TAAR1PPARGPPARAPPARDMEN1
SCHEMBL12953073 0.76 PPARA (0.63) TAAR1PPARGPPARAPPARDMEN1

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
EP-1661890-B1 PPAR-ACTIVATING COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KOWA CO (JP) 2011-01-05 — — EP disclosed
Send feedback