SCHEMBL9159591

SCHEMBL9159591

C=C(C)C(=O)OCCOCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
TSHR P16473 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 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
SCHEMBL31202591 0.92 TDP1 (0.51) THRBTDP1ALDH1A1POLBAPEX1
SCHEMBL42893 0.92 HCAR2 (0.51) THRBTDP1ALDH1A1POLBAPEX1
SCHEMBL7565572 0.92 THRB (0.59) THRBTDP1ALDH1A1POLBAPEX1
SCHEMBL554380 0.91 THRB (0.51) THRBTDP1ALDH1A1POLBAPEX1
Methane SCHEMBL4468486 0.90 HCAR2 (0.50) THRBTDP1ALDH1A1POLBAPEX1
SCHEMBL488918 0.89 THRB (0.53) THRBTDP1ALDH1A1POLBAPEX1
SCHEMBL27973892 0.89 HCAR2 (0.49) THRBTDP1ALDH1A1POLBAPEX1
Methacrylic Acid SCHEMBL8131805 0.89 HCAR2 (0.49) THRBTDP1ALDH1A1POLBAPEX1
Ethylene Glycol SCHEMBL6490846 0.87 HCAR2 (0.47) THRBTDP1ALDH1A1POLBAPEX1
SCHEMBL316845 0.87 THRB (0.54) THRBTDP1ALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5473032-A Includes acrylic copolymer having hydroxyl groups HERBERTS GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-12-05 US disclosed