SCHEMBL7175165

SCHEMBL7175165

C=CCC(CC(=O)OCC)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 6/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRM1 P11229 1/20 0.38
ADORA1 P30542 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
TRPA1 O75762 1/20 0.38
CPA1 P15085 1/20 0.37
CYP2D6 P10635 1/20 0.35
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34

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
SCHEMBL891773 0.86 CPA1 (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11128669 0.85 MEN1 (0.41) ALDH1A1TSHRHSD17B10KMT2AMEN1
SCHEMBL5936834 0.85 MEN1 (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2158277 0.84 MEN1 (0.37) ALDH1A1TSHRHSD17B10KMT2AMEN1
SCHEMBL7842786 0.83 MGAM (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15114435 0.82 CPA1 (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8719366 0.82 MGAM (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11129247 0.80 TSHR (0.47) ALDH1A1TSHRHSD17B10L3MBTL1NPSR1
SCHEMBL10536244 0.79 TSHR (0.44) GAAALDH1A1TSHRCYP3A4TDP1
SCHEMBL12925787 0.79 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1

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-110684196-B Polycarboxy modified silicone oil, preparation method and application thereof, and antirust agent containing same 岳阳凯门水性助剂有限公司 2021-09-21 CN disclosed
CN-110684196-A Polycarboxy modified silicone oil, preparation method and application thereof, and antirust agent containing same 岳阳凯门水性助剂有限公司 2020-01-14 CN disclosed
US-6568856-B2 Rolling bearing NSK LTD. (JP) 2003-05-27 US disclosed
US-4405469-A SILICON-CARBON BONDS, ESTER GROUPS CONSORTIUM FUR ELEKTROCHEMISCHE IND. GMBH (DE) 1983-09-20 US disclosed
US-4322473-A FIBER COATING CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1982-03-30 US disclosed
US-4207246-A REACTING UNSATURATED DIESTER WITH ORGANOSILOXANE CONTAINING SILICONBONDED HYDROGEN, CATALYST Consortium f/ur Elektrochemische Industrie GmbH (DE) 1980-06-10 US disclosed