SCHEMBL5687208

SCHEMBL5687208

Cc1cnc(Oc2ccc(-c3ccc(OCC4CO4)cc3)cc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
TP53 P04637 3/20 0.54
TSHR P16473 3/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
HIF1A Q16665 2/20 0.54
CYP1A2 P05177 1/20 0.54
PPARG P37231 1/20 0.54
TDP1 Q9NUW8 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
PKM P14618 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
CYP3A4 P08684 1/20 0.44
GLA P06280 1/20 0.42
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39

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
SCHEMBL2898812 0.85 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ATP53TSHR
SCHEMBL5686746 0.85 TDP1 (0.56) ALDH1A1MEN1KMT2ATP53TSHR
SCHEMBL5687175 0.84 NPSR1 (0.44) ALDH1A1MEN1KMT2ATP53TSHR
SCHEMBL14062670 0.84 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATP53TSHR
SCHEMBL13383366 0.83 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ATP53TSHR
SCHEMBL17183015 0.83 TDP1 (0.63) ALDH1A1MEN1KMT2ATP53TSHR
SCHEMBL5687008 0.82 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATP53TSHR
SCHEMBL14062974 0.82 TDP1 (0.54) ALDH1A1MEN1KMT2ATP53TSHR
SCHEMBL2906340 0.81 TDP1 (0.50) ALDH1A1MEN1KMT2ATP53TSHR
SCHEMBL2720991 0.81 TDP1 (0.70) ALDH1A1MEN1KMT2ATP53TSHR

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-1636209-A1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT Sumitomo Chemical Company, Limited (JP) 2006-03-22 EP disclosed
WO-2004113327-A1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-29 WO disclosed