SCHEMBL8570508

SCHEMBL8570508

CCOC(=O)CCCCC(=O)OCC.CCOC(=O)CCCCC(=O)OCC.CCOC(=O)CCCCC(=O)OCC.CCOC(=O)CCCCC(=O)OCC.CCOC(=O)CCCCC(=O)OCC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.73
GAA P10253 2/20 0.60
MGAM O43451 1/20 0.60
SI P14410 1/20 0.60
MGAM2 Q2M2H8 1/20 0.60
DGKA P23743 1/20 0.58
ALDH1A1 P00352 4/20 0.57
ALOX15 P16050 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
NR1I2 O75469 1/20 0.55
PGR P06401 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
PTGS2 P35354 1/20 0.55
PDE4D Q08499 1/20 0.55
TRPA1 O75762 1/20 0.55
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53

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
SCHEMBL50610 1.00 CYP1A2 (0.73) CYP1A2GAAMGAMSIMGAM2
SCHEMBL494100 0.97 CYP1A2 (0.70) CYP1A2GAAMGAMSIMGAM2
SCHEMBL19066941 0.97 CYP1A2 (0.70) CYP1A2GAAMGAMSIMGAM2
SCHEMBL494356 0.97 CYP1A2 (0.70) CYP1A2GAAMGAMSIMGAM2
SCHEMBL495925 0.97 CYP1A2 (0.70) CYP1A2GAAMGAMSIMGAM2
SCHEMBL494584 0.97 CYP1A2 (0.70) CYP1A2GAAMGAMSIMGAM2
SCHEMBL440349 0.97 CYP1A2 (0.70) CYP1A2GAAMGAMSIMGAM2
SCHEMBL1483107 0.97 CYP1A2 (0.70) CYP1A2GAAMGAMSIMGAM2
SCHEMBL6055406 0.97 CYP1A2 (0.70) CYP1A2GAAMGAMSIMGAM2
SCHEMBL33870 0.97 CYP1A2 (0.70) CYP1A2GAAMGAMSIMGAM2

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
US-5709850-A PSEUDOLATEX CONTAINING NEUTRALIZED CARBOXYLIC POLYMER, PLASTICIZER L'OREAL (FR) 1998-01-20 US disclosed
US-5660820-A INCLUDES PARTICLES OF A FILM-FORMING POLYMER CONTAINING CARBOXYLIC ACID FUNCTIONS NEUTRALIZED USING A NONVOLATILE MONOBASIC AGENT; PLASTICIZERS L'OREAL (FR) 1997-08-26 US disclosed