SCHEMBL5610345

SCHEMBL5610345

CCCCN(C=C(CC)C(=O)O)C(=O)OCC

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 3/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SOAT1 P35610 1/20 0.31
HCAR2 Q8TDS4 2/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
ATM Q13315 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30

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
SCHEMBL9016875 0.91 APEX1 (0.34) APEX1ALDH1A1
SCHEMBL2007137 0.76 CA1 (0.35) MEN1CYP1A2CYP3A4GAACYP2C9
SCHEMBL7630004 0.74 CA12 (0.36) MEN1KMT2AALDH1A1HSD17B10CA12
Urethane SCHEMBL10427228 0.72 ALOX15 (0.40) MEN1KMT2AL3MBTL1HCAR2ATM
SCHEMBL16628825 0.71 HCAR2 (0.43) ALDH1A1LMNAHCAR2CA12CA1
SCHEMBL8087451 0.69 TSHR (0.41)
SCHEMBL11492347 0.69 TSHR (0.41)
SCHEMBL6449857 0.68 EP300 (0.40) MEN1KMT2AALDH1A1HSD17B10
SCHEMBL4346470 0.68 CA12 (0.50) CYP1A2CYP3A4GAACYP2C19ALDH1A1
SCHEMBL9357923 0.66 ALDH1A1 (0.41) GAAALDH1A1LMNAHSD17B10CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786866-B1 POLYMER RESIN COMPOSITION EVONIK HANSE GMBH (DE) 2014-01-22 EP disclosed
EP-1786866-A1 POLYMER RESIN COMPOSITION hanse chemie AG (DE) 2007-05-23 EP disclosed
WO-2006027139-A1 POLYMER RESIN COMPOSITION HANSE CHEMIE AG (DE) 2006-03-16 WO disclosed
EP-1634921-A1 Polymer resin composition hanse chemie GmbH (DE) 2006-03-15 EP disclosed