SCHEMBL28296972

SCHEMBL28296972

CCOC(=O)CC(CC(=O)OC#N)c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
ALOX15 P16050 2/20 0.46
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
FFAR1 O14842 2/20 0.41
MAPT P10636 6/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP1 P29466 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL10665829 0.89 L3MBTL1 (0.56) L3MBTL1ALOX15F2F10FFAR1
SCHEMBL17521558 0.85 L3MBTL1 (0.52) L3MBTL1ALOX15F2F10FFAR1
SCHEMBL21199763 0.83 FFAR1 (0.57) L3MBTL1ALOX15F2F10FFAR1
SCHEMBL11813470 0.80 KMT2A (0.50) L3MBTL1ALOX15FFAR1MAPTTHRB
SCHEMBL28296997 0.79 SMN1; SMN2 (0.40) MAPTTHRBALDH1A1KDM4ENPSR1
SCHEMBL21199833 0.77 ALOX15 (0.52) L3MBTL1ALOX15MAPTTHRBALDH1A1
SCHEMBL6262477 0.77 HTT (0.50) L3MBTL1F2F10MAPTALDH1A1
SCHEMBL12430380 0.77 ALOX15 (0.55) L3MBTL1ALOX15MAPTTHRBALDH1A1
SCHEMBL9391256 0.77 HPGD (0.57) L3MBTL1ALOX15FFAR1THRBNPSR1
SCHEMBL13573006 0.77 ALOX15 (0.55) L3MBTL1ALOX15MAPTTHRBALDH1A1

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
CN-109715614-A The 6 yuan of cyclammonium or lactams replaced with urea and phenyl 格吕伦塔尔有限公司 2019-05-03 CN disclosed