SCHEMBL17022754

SCHEMBL17022754

O=C(OCC1CC2C=CC1C2)Oc1cc(OC(=O)OCC2CC3C=CC2C3)cc(OC(=O)OCC2CC3C=CC2C3)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.36
POLB P06746 2/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 6/20 0.36
TDP1 Q9NUW8 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 3/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
EPHX2 P34913 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL14434848 0.85 KDM4E (0.39) KDM4EPOLBALOX15ALDH1A1TDP1
SCHEMBL4401217 0.85 KDM4E (0.39) KDM4EPOLBALOX15ALDH1A1TDP1
SCHEMBL5349663 0.80 KDM4E (0.39) KDM4EPOLBALOX15ALDH1A1TDP1
SCHEMBL21646820 0.78 ALDH1A1 (0.42) KDM4EPOLBALOX15ALDH1A1TDP1
SCHEMBL5358221 0.78 ALDH1A1 (0.42) KDM4EPOLBALOX15ALDH1A1TDP1
SCHEMBL18587123 0.77 KDM4E (0.41) KDM4EPOLBALOX15ALDH1A1TDP1
SCHEMBL5359702 0.76 KDM4E (0.39) KDM4EPOLBALOX15ALDH1A1TDP1
SCHEMBL4743694 0.76 SLC18A2 (0.40) KDM4EPOLBALOX15ALDH1A1TDP1
SCHEMBL13443362 0.76 KDM4E (0.40) KDM4EPOLBALOX15ALDH1A1TDP1
SCHEMBL123010 0.76 KDM4E (0.40) KDM4EPOLBALOX15ALDH1A1TDP1

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
EP-2910236-B1 Dental materials based on low-odour thiols IVOCLAR VIVADENT AG (LI) 2020-02-12 EP disclosed
EP-2910236-A1 Dental materials based on low-odour thiols Ivoclar Vivadent AG (LI) 2015-08-26 EP disclosed