SCHEMBL15224102

SCHEMBL15224102

C=C(C)COOC(=O)CCC(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
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 0.38
TRPA1 O75762 1/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 4/20 0.37
POLB P06746 2/20 0.37
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR1I2 O75469 1/20 0.34
PGR P06401 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PTGS2 P35354 1/20 0.34
PDE4D Q08499 1/20 0.34
L3MBTL1 Q9Y468 1/20 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
SCHEMBL3295318 0.89 CYP1A2 (0.39) CYP1A2GAAMGAMSIMGAM2
SCHEMBL22467688 0.80 GAA (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL932338 0.80 GAA (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL28494618 0.79 ALDH1A1 (0.48) GAAMGAMSIMGAM2ALDH1A1
Fluoromethane SCHEMBL28248919 0.76 CYP1A2 (0.47) CYP1A2GAAMGAMSIMGAM2
SCHEMBL209477 0.76 GAA (0.46) CYP1A2GAAMGAMSIMGAM2
SCHEMBL10385823 0.75 PAM (0.47) ALDH1A1LMNATSHR
Succinic Acid Diethyl Ester SCHEMBL29266181 0.75 GAA (0.60) CYP1A2GAAMGAMSIMGAM2
SCHEMBL17629664 0.75 ALDH1A1 (0.44) CYP1A2GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL22780 0.74 GAA (0.67) 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
EP-2385936-B1 HYDROGEN PEROXIDE COMPLEXES AND THEIR USE IN THE CURE SYSTEM OF ANAEROBIC ADHESIVES Henkel US IP LLC (US) 2015-03-04 EP disclosed
US-8524034-B2 Hydrogen peroxide complexes and their use in the cure system of anaerobic adhesives HENKEL CORPORATION (US) 2013-09-03 US disclosed