SCHEMBL20122659

SCHEMBL20122659

C=C(C)C(=O)OCCOP(=O)(OC)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 2/20 0.39
BTN3A1 O00481 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ELANE P08246 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SRC P12931 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 3/20 0.35

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
SCHEMBL7168505 0.93 POLB (0.47) POLBAPEX1HTTTDP1THRB
SCHEMBL222126 0.93 POLB (0.44) POLBAPEX1HTTTDP1THRB
Methacrylic Acid SCHEMBL2511960 0.91 POLB (0.42) POLBAPEX1HTTTDP1THRB
SCHEMBL13717067 0.90 THRB (0.45) POLBAPEX1HTTTDP1THRB
SCHEMBL3447687 0.88 THRB (0.44) POLBAPEX1HTTTDP1THRB
Acrylic Acid SCHEMBL21955703 0.87 THRB (0.42) POLBAPEX1HTTTDP1THRB
SCHEMBL3691946 0.85 POLB (0.48) POLBAPEX1HTTTDP1THRB
SCHEMBL105672 0.84 ALDH1A1 (0.49) POLBAPEX1HTTTDP1THRB
SCHEMBL17678851 0.84 PKM (0.49) POLBAPEX1HTTTDP1THRB
Phosphoric Acid SCHEMBL17764817 0.83 ALDH1A1 (0.48) POLBAPEX1HTTTDP1THRB

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
EP-3318585-A1 ION COMPLEX MATERIAL HAVING ABILITY TO INHIBIT ADHESION OF BIOLOGICAL MATERIALS, AND METHOD FOR PRODUCING SAME Nissan Chemical Industries, Ltd. (JP) 2018-05-09 EP disclosed