SCHEMBL8415723

SCHEMBL8415723

CC(C)OC(=O)N[C@H](C(=O)NC(c1ccccc1)c1ccccc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
TSHR P16473 1/20 0.44
CASP3 P42574 2/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MME P08473 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
HPGDS O60760 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL28027599 0.87 LMNA (0.47) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9331274 0.83 CTSK (0.53) HTTMEN1KMT2A
SCHEMBL28027600 0.82 LMNA (0.53) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7564627 0.81 HTT (0.47) HTTTSHRCASP3CASP8MME
SCHEMBL9828845 0.77 HTT (0.57) HTTTSHRSMN1; SMN2KMT2ALMNA
SCHEMBL9828837 0.77 HTT (0.57) HTTTSHRSMN1; SMN2KMT2ALMNA
SCHEMBL28026970 0.77 LMNA (0.53) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL28026971 0.77 LMNA (0.47) HTTMEN1KMT2ALMNA
SCHEMBL8576836 0.76 MMP9 (0.53) HTTMEN1KMT2AHPGDS
SCHEMBL6917355 0.76 MMP9 (0.53) HTTMEN1KMT2AHPGDS

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-5942541-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-08-24 US disclosed
US-5723646-A Substituted amino acid amide derivatives their preparation and use as fungicides BAYER AKTIENGESELLSCHAFT (DE) 1998-03-03 US disclosed
EP-0587110-B1 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-12-17 EP disclosed
EP-0496239-B1 Substituted aminoacid amide derivatives, their preparation and use as fungicide BAYER AG (DE) 1995-10-11 EP disclosed
US-5348976-A Amide derivatives as fungicides safe for plants KUMAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-09-20 US disclosed
EP-0587110-A2 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-03-16 EP disclosed
EP-0496239-A2 Substituted aminoacid amide derivatives, their preparation and use as fungicide BAYER AG (DE) 1992-07-29 EP disclosed