SCHEMBL28778928

SCHEMBL28778928

CCOC(=O)CC(C(=O)OCC)c1cccc(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
CTSA P10619 1/20 0.44
F10 P00742 1/20 0.44
MMP8 P22894 1/20 0.43
DHODH Q02127 2/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL1244623 0.87 TSHR (0.55) TSHRALDH1A1F10MMP8MEN1
SCHEMBL22837949 0.83 F10 (0.46) TSHRALDH1A1CTSAF10DHODH
SCHEMBL31483430 0.80 ACHE (0.43) TSHRALDH1A1F10MEN1KMT2A
SCHEMBL3670529 0.79 L3MBTL1 (0.48) TSHRALDH1A1MMP8MEN1NPC1
SCHEMBL10411231 0.79 TSHR (0.53) TSHRALDH1A1F10MMP8MEN1
SCHEMBL6341119 0.78 ALDH1A1 (0.49) TSHRALDH1A1MMP8MEN1NPC1
SCHEMBL9911026 0.77 TSHR (0.51) TSHRALDH1A1F10MMP8MEN1
SCHEMBL31488253 0.76 MAPK1 (0.41) TSHRALDH1A1
SCHEMBL22837948 0.76 F10 (0.44) TSHRALDH1A1CTSAF10DHODH
SCHEMBL6686012 0.76 TSHR (0.50) TSHRALDH1A1F10MMP8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103980706-A Thermosetting resin composition and applications thereof SHENGYI TECHNOLOGY CO LTD 2014-08-13 CN claimed
CN-103060773-A Preparation method of superhydrophobic surface material HEFEI GENIUS NEW MAT CO LTD 2013-04-24 CN claimed
CN-101531767-A Micro-nano granules dispersion method in polymer basal body using liquid-liquid interface UNIV GUILIN TECH GUT 2009-09-16 CN claimed
CN-103980706-A Thermosetting resin composition and applications thereof SHENGYI TECHNOLOGY CO LTD 2014-08-13 CN disclosed
CN-103060773-A Preparation method of superhydrophobic surface material HEFEI GENIUS NEW MAT CO LTD 2013-04-24 CN disclosed
CN-101531767-A Micro-nano granules dispersion method in polymer basal body using liquid-liquid interface UNIV GUILIN TECH GUT 2009-09-16 CN disclosed