SCHEMBL6815934

SCHEMBL6815934

CCC#CCOc1ccc(CCNC(=O)C(NC(=O)OC(C)(C)C)C(C)C)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.54
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 2/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
CA1 P00915 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6815439 0.89 CA2 (0.55) CA2KMT2AMEN1LMNACTSS
SCHEMBL8381584 0.88 CA2 (0.64) CA2KMT2AMEN1LMNACTSS
SCHEMBL6814877 0.87 CA2 (0.49) CA2KMT2AMEN1LMNASMN1; SMN2
SCHEMBL6819858 0.87 CA2 (0.49) CA2KMT2AMEN1LMNACTSS
SCHEMBL6554729 0.87 CA2 (0.49) CA2KMT2AMEN1LMNASMN1; SMN2
SCHEMBL7619034 0.84 CA2 (0.55) CA2KMT2AMEN1CA1SMN1; SMN2
SCHEMBL6813383 0.82 CA2 (0.65) CA2KMT2AMEN1CTSSCTSK
SCHEMBL6555031 0.82 CA2 (0.65) CA2KMT2AMEN1CTSSCTSK
SCHEMBL6554814 0.78 CA2 (0.49) CA2KMT2AMEN1LMNAMAPT
SCHEMBL6816083 0.78 KMT2A (0.48) CA2KMT2AMEN1LMNACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140799-B1 NOVEL PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-02 EP claimed
US-6469005-B1 CONTROLLING AND PROTECTING AGAINST PHYTOPATHOGENIC MICROORGANISMS SYNGENTA PARTICIPATIONS AG (CH) 2002-10-22 US claimed
EP-1140799-B1 NOVEL PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-02 EP disclosed
US-6469005-B1 CONTROLLING AND PROTECTING AGAINST PHYTOPATHOGENIC MICROORGANISMS SYNGENTA PARTICIPATIONS AG (CH) 2002-10-22 US disclosed