SCHEMBL6935703

SCHEMBL6935703

COC(=O)C(=CO)c1c(F)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.47
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
POLB P06746 3/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL6935698 1.00 GAA (0.47) GAAMAPTRAB9ANPSR1JAK2
SCHEMBL30437149 0.87 GAA (0.46) GAAMAPTRAB9ANPSR1JAK2
SCHEMBL6935826 0.87 GAA (0.46) GAAMAPTRAB9ANPSR1JAK2
SCHEMBL6935825 0.87 GAA (0.46) GAAMAPTRAB9ANPSR1JAK2
SCHEMBL6935828 0.87 GAA (0.46) GAAMAPTRAB9ANPSR1JAK2
SCHEMBL23301981 0.84 ALDH1A1 (0.43) GAAMAPTRAB9APOLBHPGD
SCHEMBL23301982 0.84 ALDH1A1 (0.43) GAAMAPTRAB9APOLBHPGD
SCHEMBL946028 0.77 LMNA (0.55) GAAMAPTRAB9ANPSR1JAK2
SCHEMBL3305713 0.77 GAA (0.44) GAAMAPTRAB9ANPSR1JAK2
SCHEMBL3305720 0.77 GAA (0.44) GAAMAPTRAB9ANPSR1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6566547-B1 3-alkoxy-2-phenylacrylic acid derivatives ZENECA LIMITED (GB) 2003-05-20 US disclosed
EP-0178826-B2 Fungicides SYNGENTA LTD (GB) 2003-04-09 EP disclosed
US-5315025-A Acrylate ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-05-24 US disclosed
US-5286894-A Phenyl acrylic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-15 US disclosed
EP-0178826-B1 FUNGICIDES ZENECA LIMITED (GB) 1991-12-18 EP disclosed
EP-0431328-A2 Fungicides ZENECA LIMITED (GB) 1991-06-12 EP disclosed
EP-0178826-A2 Fungicides ZENECA LIMITED (GB) 1986-04-23 EP disclosed