SCHEMBL5689043

SCHEMBL5689043

Cc1ccnc(Oc2ccc(-c3ccc(OCC4CO4)cc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
TSHR P16473 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP1A2 P05177 1/20 0.46
PPARG P37231 1/20 0.46
DRD1 P21728 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
GLA P06280 1/20 0.38

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
SCHEMBL2905979 0.87 TDP1 (0.46) ALDH1A1TP53TSHRMAPTMEN1
SCHEMBL2900335 0.82 TDP1 (0.50) ALDH1A1TP53TSHRMAPTMEN1
SCHEMBL2903660 0.82 TDP1 (0.50) ALDH1A1TP53TSHRMAPTMEN1
SCHEMBL5634231 0.82 TDP1 (0.54) ALDH1A1TP53TSHRMAPTMEN1
SCHEMBL2920461 0.79 TDP1 (0.53) ALDH1A1TP53TSHRMAPTMEN1
SCHEMBL13383366 0.79 ALDH1A1 (0.60) ALDH1A1TP53TSHRMAPTMEN1
SCHEMBL17183015 0.79 TDP1 (0.63) ALDH1A1TP53TSHRMAPTMEN1
SCHEMBL5687208 0.79 ALDH1A1 (0.54) ALDH1A1TP53TSHRMAPTMEN1
SCHEMBL2898805 0.79 ALDH1A1 (0.45) ALDH1A1TP53TSHRMAPTMEN1
SCHEMBL2905081 0.79 ALDH1A1 (0.45) ALDH1A1TP53TSHRMAPTMEN1

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