SCHEMBL3655327

SCHEMBL3655327

O=c1[nH]ccc(OCc2ccccc2)c1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
NSD2 O96028 1/20 0.41
ABL1 P00519 1/20 0.41
PPARG P37231 1/20 0.41
RIN1 Q13671 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
SLC6A4 P31645 2/20 0.38
AR P10275 3/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.37
SCN10A Q9Y5Y9 2/20 0.37
PNP P00491 1/20 0.37

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
SCHEMBL5256531 0.86 L3MBTL1 (0.49) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL6472545 0.79 MAOB (0.50) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL6471436 0.72 L3MBTL1 (0.46) RXRARXRBRXRGNSD2ABL1
SCHEMBL5784957 0.72 MRGPRX4 (0.63) L3MBTL1MRGPRX4
SCHEMBL16770891 0.72 SLC6A4 (0.58) MRGPRX4SLC6A4
SCHEMBL5201871 0.71 PDE4A (0.44) POLB
SCHEMBL5907208 0.71 CA12 (0.41) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL4380372 0.70 MRGPRX4 (0.57) RXRARXRBRXRGPPARGL3MBTL1
SCHEMBL2834843 0.70 POLB (0.48) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL6471478 0.70 HTT (0.45) RXRANSD2ABL1PPARGRIN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203439-A1 1',3'-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H, 1'H-Ý1, 4'¨BIPYRIDINYL-2'-ONES Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2010-07-07 EP disclosed
WO-2009033704-A1 1',3'-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H, 1'H-[1, 4'] BIPYRIDINYL-2'-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2009-03-19 WO disclosed