SCHEMBL3658748

SCHEMBL3658748

O=C(O)c1ccc2c(C(=O)O)c1CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
METAP2 P50579 3/20 0.43
RXRA P19793 6/20 0.40
RXRB P28702 5/20 0.40
RXRG P48443 4/20 0.40
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP1 P09874 1/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RECQL P46063 1/20 0.36
CASP6 P55212 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL970697 0.98 ALDH1A1 (0.43) ALDH1A1METAP2RXRARXRBRXRG
SCHEMBL564223 0.96 METAP2 (0.47) ALDH1A1METAP2RXRARXRBRXRG
SCHEMBL719871 0.94 METAP2 (0.46) ALDH1A1METAP2RXRARXRBRXRG
SCHEMBL720289 0.94 METAP2 (0.46) ALDH1A1METAP2RXRARXRBRXRG
Terephthalic Acid SCHEMBL5393223 0.90 ALDH1A1 (0.47) ALDH1A1METAP2RXRARXRBRXRG
Cyclohexane SCHEMBL5999616 0.89 CYP1A2 (0.38) ALDH1A1METAP2CYP1A2MEN1KMT2A
SCHEMBL196225 0.88 CYP1A2 (0.41) ALDH1A1METAP2CYP1A2KDM4EHPGD
SCHEMBL967549 0.86 CYP1A2 (0.44) ALDH1A1METAP2CYP1A2KDM4EHPGD
SCHEMBL819555 0.86 METAP2 (0.48) ALDH1A1METAP2RXRARXRBRXRG
SCHEMBL5516985 0.83 CYP1A2 (0.37) ALDH1A1METAP2CYP1A2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035209-B1 PREFORM AND CONTAINER FOR RADIOSENSITIVE PRODUCTS AND METHOD FOR THE MANUFACTURING THEREOF RESILUX (BE) 2016-05-04 EP disclosed
EP-2231373-B1 PREFORM AND CONTAINER FOR CONTAMINABLE PRODUCTS AND METHOD FOR THE MANUFACTURING THEREOF RESILUX (BE) 2015-07-08 EP disclosed
EP-2231373-A2 PREFORM AND CONTAINER FOR CONTAMINABLE PRODUCTS AND METHOD FOR THE MANUFACTURING THEREOF Resilux (BE) 2010-09-29 EP disclosed
WO-2009079724-A2 PREFORM AND CONTAINER FOR CONTAMINABLE PRODUCTS AND METHOD FOR THE MANUFACTURING THEREOF RESILUX (BE) 2009-07-02 WO disclosed
US-20090169786-A1 Preform and Container for Radiosensitive Products and Method for the Manufacturing Thereof RESILUX (BE) 2009-07-02 US disclosed
EP-2035209-A2 PREFORM AND CONTAINER FOR RADIOSENSITIVE PRODUCTS AND METHOD FOR THE MANUFACTURING THEREOF Resilux (BE) 2009-03-18 EP disclosed
WO-2007128085-A2 PREFORM AND CONTAINER FOR RADIOSENSITIVE PRODUCTS AND METHOD FOR THE MANUFACTURING THEREOF RESILUX (BE) 2007-11-15 WO disclosed