SCHEMBL8416665

SCHEMBL8416665

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.72
CA5A P35218 1/20 0.59
CTSK P43235 3/20 0.59
CTSS P25774 2/20 0.59
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
ATM Q13315 1/20 0.55
CA1 P00915 1/20 0.54
GLS O94925 1/20 0.52
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL9006092 0.89 CA2 (0.74) CA2CTSKCTSSKMT2AMEN1
SCHEMBL9006099 0.89 CA2 (0.74) CA2CTSKCTSSKMT2AMEN1
SCHEMBL4750042 0.87 CTSS (0.61) CTSKCTSS
SCHEMBL8769095 0.87 CA2 (0.71) CA2CA5ACTSKCTSSKMT2A
SCHEMBL20046452 0.86 CA2 (0.58) CA2CA5ACTSKCTSSKMT2A
SCHEMBL20075956 0.86 CA2 (0.58) CA2CA5ACTSKCTSSKMT2A
SCHEMBL7103984 0.86 CTSK (0.60) CA2CTSKCTSSATM
SCHEMBL8968192 0.85 CA2 (0.61) CA2CA5AKMT2AMEN1CA1
SCHEMBL10308398 0.84 CA2 (0.53) CA2CA5ACTSKCTSSKMT2A
SCHEMBL8613638 0.84 CA2 (0.52) CA2CTSKCTSSKMT2A

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 5 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-0496239-B1 Substituted aminoacid amide derivatives, their preparation and use as fungicide BAYER AG (DE) 1995-10-11 EP disclosed
EP-0667863-A1 2-PERHALOGENALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1995-08-23 EP disclosed
EP-0496239-A2 Substituted aminoacid amide derivatives, their preparation and use as fungicide BAYER AG (DE) 1992-07-29 EP disclosed