SCHEMBL20924840

SCHEMBL20924840

O=C(O)C(=O)/C=C(\O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
SRD5A2 P31213 1/20 0.54
MAOB P27338 1/20 0.52
LMNA P02545 2/20 0.51
PTPN1 P18031 1/20 0.51
ALDH1A1 P00352 2/20 0.49
KCNK3 O14649 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
P2RX1 P51575 1/20 0.48
POLB P06746 2/20 0.47
HPGD P15428 1/20 0.47
KAT6A Q92794 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL13815769 0.81 CES2 (0.48) CES2SRD5A2MAOBLMNAPTPN1
SCHEMBL12418106 0.81 CES2 (0.48) CES2SRD5A2MAOBLMNAPTPN1
SCHEMBL1764931 0.80 CES2 (0.47) CES2SRD5A2MAOBLMNAPTPN1
SCHEMBL2192685 0.80 CES2 (0.47) CES2SRD5A2MAOBLMNAPTPN1
SCHEMBL8042647 0.80 CA12 (0.60) CES2CA12CA1CA2CA9
SCHEMBL8042651 0.80 CA12 (0.60) CES2CA12CA1CA2CA9
SCHEMBL2095433 0.78 CES2 (0.58) CES2SRD5A2MAOBLMNAALDH1A1
SCHEMBL4171698 0.78 CES2 (0.81) CES2SRD5A2MAOBLMNAALDH1A1
SCHEMBL4414992 0.78 CES2 (0.58) CES2SRD5A2MAOBLMNAALDH1A1
SCHEMBL29923199 0.78 CES2 (0.81) CES2SRD5A2MAOBLMNAALDH1A1

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-3473098-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Gorbunov, Sergei Valeryevich (RU) 2019-04-24 EP disclosed