SCHEMBL6935826

SCHEMBL6935826

CO/C=C(/C(=O)OC)c1c(F)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.46
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
POLB P06746 3/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL6935828 1.00 GAA (0.46) GAARAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL6935825 1.00 GAA (0.46) GAARAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL30437149 1.00 GAA (0.46) GAARAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL6935703 0.87 GAA (0.47) GAARAB9AMAPTNPSR1JAK2
SCHEMBL6935698 0.87 GAA (0.47) GAARAB9AMAPTNPSR1JAK2
SCHEMBL7170893 0.87 GAA (0.43) GAARAB9AALDH1A1MAPTNPSR1
SCHEMBL7170890 0.87 GAA (0.43) GAARAB9AALDH1A1MAPTNPSR1
SCHEMBL946028 0.76 LMNA (0.55) GAARAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL3305713 0.75 GAA (0.44) GAARAB9AMAPTNPSR1JAK2
SCHEMBL3305720 0.75 GAA (0.44) GAARAB9AMAPTNPSR1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178826-B2 Fungicides SYNGENTA LTD (GB) 2003-04-09 EP disclosed
EP-0178826-B1 FUNGICIDES ZENECA LIMITED (GB) 1991-12-18 EP disclosed