SCHEMBL7184070

SCHEMBL7184070

C=C(C)C(=O)OCCOc1ccccc1.CC(O)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
HTT P42858 1/20 0.51
THRB P10828 1/20 0.48
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 1/20 0.43
PARP10 Q53GL7 1/20 0.43
MTNR1A P48039 5/20 0.42
MTNR1B P49286 5/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL21371 0.89 TDP1 (0.61) TDP1POLBAPEX1HTTTHRB
SCHEMBL28331865 0.87 TDP1 (0.60) TDP1POLBAPEX1HTTTHRB
Methacrylic Acid SCHEMBL17911799 0.86 TDP1 (0.58) TDP1POLBAPEX1HTTTHRB
SCHEMBL1524479 0.84 POLB (0.57) TDP1POLBAPEX1HTTTHRB
SCHEMBL1524320 0.84 POLB (0.57) TDP1POLBAPEX1HTTTHRB
SCHEMBL1524744 0.84 POLB (0.57) TDP1POLBAPEX1HTTTHRB
SCHEMBL1173746 0.84 POLB (0.57) TDP1POLBAPEX1HTTTHRB
SCHEMBL437611 0.84 POLB (0.57) TDP1POLBAPEX1HTTTHRB
SCHEMBL910146 0.84 POLB (0.57) TDP1POLBAPEX1HTTTHRB
SCHEMBL152506 0.84 POLB (0.57) TDP1POLBAPEX1HTTTHRB

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-1353893-A1 PROCESS FOR THE PREPARATION OF ESTERS OF (METH)ACRYLIC ACID Dsm N.V. (NL) 2003-10-22 EP disclosed
WO-2002055473-A1 PROCESS FOR THE PREPARATION OF ESTERS OF (METH)ACRYLIC ACID DSM IP ASSETS B.V. (NL) 2002-07-18 WO disclosed