SCHEMBL12492014

SCHEMBL12492014

O=C(O)C1/C=C\C(C(=O)O)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.42
TDP1 Q9NUW8 3/20 0.42
APEX1 P27695 1/20 0.42
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
SLC6A1 P30531 2/20 0.31
TSHR P16473 2/20 0.31
SLC6A11 P48066 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31
EPHX1 P07099 2/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31

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
SCHEMBL12492015 1.00 POLB (0.42) POLBTDP1APEX1CES2CES1
SCHEMBL12491887 0.94 POLB (0.42) POLBTDP1APEX1KDM4EL3MBTL1
SCHEMBL638769 0.88 POLB (0.46) POLBTDP1APEX1KDM4EEGLN1
SCHEMBL5482159 0.83 POLB (0.34) POLBTDP1APEX1KDM4EALDH1A1
SCHEMBL11384229 0.81 KDM4E (0.34) POLBTDP1APEX1CES2CES1
SCHEMBL17694211 0.81 KDM4E (0.34) POLBTDP1APEX1CES2CES1
Hydrochloric Acid SCHEMBL10726052 0.81 POLB (0.33) POLBTDP1APEX1KDM4EALDH1A1
SCHEMBL11384206 0.81 KDM4E (0.34) POLBTDP1APEX1CES2CES1
SCHEMBL27951115 0.81 KDM4E (0.34) POLBTDP1APEX1CES2CES1
SCHEMBL14398568 0.79

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-2686366-B1 BIO-BASED POLYESTER LATEX OCE TECH BV (NL) 2019-12-25 EP disclosed
US-9068091-B2 Bio-based polyester latex OCE TECHNOLOGIES B.V. (NL) 2015-06-30 US disclosed
EP-2686366-A1 BIO-BASED POLYESTER LATEX OCE-Technologies B.V. (NL) 2014-01-22 EP disclosed
WO-2012123267-A1 BIO-BASED POLYESTER LATEX OCE-TECHNOLOGIES B.V. (NL) 2012-09-20 WO disclosed