SCHEMBL7457939

SCHEMBL7457939

CO/C=C(\C(=O)O)c1ccccc1CI

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 2/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.34
FOLH1 Q04609 1/20 0.33
AKR1C2 P52895 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL7457946 1.00 CA12 (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL20822602 0.86 HPGD (0.39) ALDH1A1LMNAHIF1AHPGDKDM4E
SCHEMBL7454598 0.86 HPGD (0.39) ALDH1A1LMNAHIF1AHPGDKDM4E
SCHEMBL7455780 0.86 HPGD (0.39) ALDH1A1LMNAHIF1AHPGDKDM4E
SCHEMBL7658118 0.86 HPGD (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL7658115 0.86 HPGD (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL5080478 0.84 ALDH1A1 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL5998853 0.84 CA12 (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL5998857 0.84 CA12 (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL3459377 0.84 CA12 (0.36) CA12CA1CA2CA9ALDH1A1

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-0877730-B1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO TECHNOLOGY LLC (US) 2002-10-02 EP claimed