SCHEMBL8554698

SCHEMBL8554698

CO/C=C(/Cc1csc2nc(-c3ccc(OC(F)(F)C(F)F)cc3)cn12)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.46
EGFR P00533 6/20 0.43
AKT1 P31749 6/20 0.43
AKT2 P31751 6/20 0.43
AKT3 Q9Y243 6/20 0.43
MAPT P10636 6/20 0.43
THRB P10828 1/20 0.38
F2RL3 Q96RI0 1/20 0.35
RAB9A P51151 3/20 0.34
CYP1A2 P05177 1/20 0.34
NPC1 O15118 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL8554193 0.86 TP53 (0.46) TP53EGFRAKT1AKT2AKT3
SCHEMBL8554499 0.85 TP53 (0.57) TP53EGFRAKT1AKT2AKT3
SCHEMBL8557547 0.84 TP53 (0.51) TP53EGFRAKT1AKT2AKT3
SCHEMBL8554723 0.84 TP53 (0.50) TP53EGFRAKT1AKT2AKT3
SCHEMBL8557170 0.83 TP53 (0.46) TP53EGFRAKT1AKT2AKT3
SCHEMBL8556548 0.83 THRB (0.53) TP53EGFRAKT1AKT2AKT3
SCHEMBL8556432 0.83 TP53 (0.47) TP53EGFRAKT1AKT2AKT3
SCHEMBL8554965 0.77 TP53 (0.34) TP53EGFRAKT1AKT2AKT3
SCHEMBL8556427 0.75 SIRT1 (0.47) TP53EGFRAKT1AKT2AKT3
SCHEMBL8555033 0.74 MAPT (0.43) TP53EGFRAKT1AKT2AKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0554957-B1 Thiazole derivatives of alkoxyacrylates with a fungicidal activity MINI RICERCA SCIENT TECNOLOG (IT) 1998-04-15 EP disclosed
US-5334609-A Used in agriculture MINISTERO DELL'UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECHNOLOGICA (IT) 1994-08-02 US disclosed
EP-0554957-A2 Thiazole derivatives of alkoxyacrylates with a fungicidal activity MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1993-08-11 EP disclosed