SCHEMBL5738697

SCHEMBL5738697

COc1cc(OC)c(-c2cc(CO)nc(C(=O)O)c2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
CNR2 P34972 1/20 0.41
MCL1 Q07820 2/20 0.40
GPR35 Q9HC97 1/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
ECE1 P42892 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CFTR P13569 1/20 0.35

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
SCHEMBL5748574 0.88 MCL1 (0.41) LMNACNR2MCL1GPR35ALOX15
SCHEMBL10387678 0.87 LMNA (0.49) LMNACNR2MCL1GPR35ALOX15
SCHEMBL842262 0.85 GAA (0.41) CNR2KDM4EALDH1A1MAPTHPGD
SCHEMBL840378 0.84 KMT2A (0.42) LMNAGPR35ALOX15KDM4ETDP1
SCHEMBL862402 0.83 MEN1 (0.41) LMNAKDM4EL3MBTL1TDP1ALDH1A1
SCHEMBL27537190 0.82 LMNA (0.45) LMNAMCL1GPR35ALOX15KDM4E
SCHEMBL842259 0.78 MTNR1A (0.38)
SCHEMBL5129451 0.77 KDM4E (0.47) LMNACNR2MCL1GPR35ALOX15
SCHEMBL5131193 0.75 CNR2 (0.49) LMNACNR2MCL1GPR35ALOX15
SCHEMBL18978077 0.75 MAPK1 (0.39) LMNAALOX15KDM4EALDH1A1HPGD

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-1694672-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2006-08-30 EP disclosed
WO-2005058877-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2005-06-30 WO disclosed