SCHEMBL14433166

SCHEMBL14433166

O=C1CC(C(=O)C2CC3C=CC2C3)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 4/20 0.32
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 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
SCHEMBL5892403 0.74 KDM4E (0.63) KDM4ELMNATHRBPOLBAPEX1
SCHEMBL22103882 0.73 KDM4E (0.42) KDM4ELMNATHRBPOLBAPEX1
SCHEMBL510221 0.67
Maleic Anhydride SCHEMBL6318875 0.67 KDM4E (0.46) KDM4ELMNATHRBPOLBAPEX1
SCHEMBL14845642 0.66 SMN1; SMN2 (0.30)
SCHEMBL8764997 0.65 ALDH1A1 (0.32) ALDH1A1
SCHEMBL476049 0.65 ALDH1A1 (0.32) ALDH1A1
SCHEMBL24004713 0.65 KDM4E (0.61) KDM4ELMNATHRBPOLBAPEX1
SCHEMBL75505 0.65 KDM4E (0.61) KDM4ELMNATHRBPOLBAPEX1
SCHEMBL21705290 0.65 KDM4E (0.61) KDM4ELMNATHRBPOLBAPEX1

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
US-7262299-B2 Diels-Alder reaction; using zeolite y in exchanged with copper; separated from mixture for reuse JOHNSON MATTHEY PLC (GB) 2007-08-28 US disclosed
US-7262299-B2 Diels-Alder reaction; using zeolite y in exchanged with copper; separated from mixture for reuse JOHNSON MATTHEY PLC (GB) 2007-08-28 US disclosed