SCHEMBL12492007

SCHEMBL12492007

O=C(O)C1C=CCC(C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.48
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
LMNA P02545 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL12491785 0.88 ABAT (0.46) ABATLMNAGABRPGABRDGABRA1
SCHEMBL12491786 0.88 ABAT (0.46) ABATLMNAGABRPGABRDGABRA1
SCHEMBL12491910 0.81 ABAT (0.48) ABATPLGPLATLMNAAKR1C3
SCHEMBL12491907 0.81 ABAT (0.48) ABATPLGPLATLMNAAKR1C3
SCHEMBL12491696 0.81 PLG (0.38) ABATPLGPLATLMNAAKR1C3
SCHEMBL12491694 0.81 PLG (0.38) ABATPLGPLATLMNAAKR1C3
SCHEMBL991477 0.80 ABAT (0.61) ABATAKR1C3AKR1C1GABRPGABRD
SCHEMBL11540278 0.78
SCHEMBL638769 0.75 POLB (0.46) ABATLMNAGABRPGABRDGABRA1
SCHEMBL17827137 0.72

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 5 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
CN-103403056-B bio-based polyester latex 奥西-技术有限公司 2017-09-15 CN 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