SCHEMBL28230342

SCHEMBL28230342

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 1.00
TSHR P16473 5/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 3/20 0.54
PKM P14618 1/20 0.53
ALDH1A1 P00352 6/20 0.53
TP53 P04637 2/20 0.52
HIF1A Q16665 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
PARP10 Q53GL7 1/20 0.50
MMP1 P03956 1/20 0.48
MMP12 P39900 1/20 0.48

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
SCHEMBL34035 1.00 THRB (1.00) THRBTSHRRAB9ASMN1; SMN2NPC1
Bromide SCHEMBL31049797 0.98 THRB (0.97) THRBTSHRRAB9ASMN1; SMN2NPC1
SCHEMBL27842581 0.98 THRB (0.97) THRBTSHRRAB9ASMN1; SMN2NPC1
SCHEMBL28315275 0.97 THRB (0.93) THRBTSHRRAB9ASMN1; SMN2NPC1
Acrylic Acid SCHEMBL28252916 0.97 THRB (0.93) THRBTSHRRAB9ASMN1; SMN2NPC1
Acrylic Acid SCHEMBL7185229 0.97 THRB (0.93) THRBTSHRRAB9ASMN1; SMN2NPC1
SCHEMBL1523937 0.95 THRB (0.90) THRBTSHRRAB9ASMN1; SMN2NPC1
Ethylene Glycol SCHEMBL22717142 0.95 THRB (0.90) THRBTSHRRAB9ASMN1; SMN2NPC1
SCHEMBL21148420 0.95 THRB (0.90) THRBTSHRRAB9ASMN1; SMN2NPC1
SCHEMBL1524152 0.95 THRB (0.90) THRBTSHRRAB9ASMN1; SMN2NPC1

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
CN-108504189-A LED-UV piezoelectric type ink-jet inks of high adhesion force and preparation method thereof 大丰鑫源达化工有限公司 2018-09-07 CN claimed
CN-108373658-A LED-UV piezoelectric type ink-jet inks of high adhesion force and preparation method thereof 大丰鑫源达化工有限公司 2018-08-07 CN claimed
CN-108504189-A LED-UV piezoelectric type ink-jet inks of high adhesion force and preparation method thereof 大丰鑫源达化工有限公司 2018-09-07 CN disclosed
CN-108373658-A LED-UV piezoelectric type ink-jet inks of high adhesion force and preparation method thereof 大丰鑫源达化工有限公司 2018-08-07 CN disclosed