SCHEMBL3274168

SCHEMBL3274168

CC1(C)c2ccc(OCC3CO3)cc2Oc2cc(OCC3CO3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TP53 P04637 3/20 0.53
TSHR P16473 3/20 0.53
HIF1A Q16665 2/20 0.53
CYP3A4 P08684 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 3/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
PPARG P37231 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
PKM P14618 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40
GLA P06280 1/20 0.40
CYP2C9 P11712 1/20 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
SCHEMBL8151638 0.81 ALDH1A1 (0.62) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL4450432 0.80 ALDH1A1 (0.57) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL22493938 0.80 ALDH1A1 (0.50) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL30621812 0.80 ALDH1A1 (0.50) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL27197514 0.78 ALDH1A1 (0.48) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL14725203 0.77 ALDH1A1 (0.53) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL7947156 0.75 ALDH1A1 (0.51) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL17050197 0.75 CYP3A4 (0.47) ALDH1A1TSHRCYP3A4MAPTHPGD
SCHEMBL31253974 0.75 ALDH1A1 (0.48) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL1495871 0.74 GRM2 (0.57) ALDH1A1TP53TSHRHIF1ACYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087618-A1 Linear (meth)acryloyl-containing compound, star (meth) acryloyl- containing compound, and method of manufacture DIC CORPORATION (JP) 2010-04-08 US disclosed
EP-2065419-A1 LINEAR (METH)ACRYLOYL-CONTAINING COMPOUND, STAR (METH)ACRYLOYL-CONTAINING COMPOUND AND PROCESS FOR PRODUCING THEM DIC Corporation (JP) 2009-06-03 EP disclosed
US-7514507-B2 Comb-shaped epoxy resin and method for preparing comb-shaped epoxy resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2009-04-07 US disclosed
US-20070142611-A1 Comb-shaped epoxy resin and method for preparing comb-shaped epoxy resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-06-21 US disclosed