SCHEMBL3699407

SCHEMBL3699407

Nc1ccc(OCC2CO2)c(CC2CO2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
GLA P06280 1/20 0.45
TP53 P04637 4/20 0.44
TSHR P16473 3/20 0.44
HIF1A Q16665 2/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
DRD4 P21917 1/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
PKM P14618 2/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
LMNA P02545 1/20 0.36
VDR P11473 1/20 0.34
SLC6A2 P23975 4/20 0.33

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
SCHEMBL1422669 0.85 SLC6A4 (0.36) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL1422672 0.85 SLC6A4 (0.36) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL17045643 0.84 ALDH1A1 (0.47) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL17350002 0.84 ALDH1A1 (0.47) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL11431087 0.84 ALDH1A1 (0.45) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL27801767 0.79 ALDH1A1 (0.38) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL29171362 0.79 ALDH1A1 (0.49) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL13515711 0.78 DRD4 (0.56) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL13515701 0.78 DRD4 (0.56) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL16744115 0.78 TSHR (0.57) ALDH1A1GLATP53TSHRHIF1A

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-2190900-A2 PRIMER COMPOSITIONS FOR ADHESIVE BONDING SYSTEMS AND COATINGS Henkel AG & Co. KGaA (DE) 2010-06-02 EP claimed
WO-2009037323-A2 PRIMER COMPOSITIONS FOR ADHESIVE BONDING SYSTEMS AND COATINGS HENKEL AG & CO. KGAA (DE) 2009-03-26 WO claimed