SCHEMBL8968192

SCHEMBL8968192

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.61
CA5A P35218 1/20 0.61
CA1 P00915 1/20 0.56
KMT2A Q03164 4/20 0.53
POLB P06746 2/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ANPEP P15144 1/20 0.47

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
SCHEMBL9178799 0.88 KMT2A (0.55) CA2CA5ACA1KMT2APOLB
SCHEMBL9178097 0.88 KMT2A (0.55) CA2CA5ACA1KMT2APOLB
SCHEMBL6511684 0.88 KMT2A (0.55) CA2CA5ACA1KMT2APOLB
SCHEMBL8712523 0.88 KMT2A (0.55) CA2CA5ACA1KMT2APOLB
SCHEMBL9178662 0.87 KMT2A (0.71) CA2CA5ACA1KMT2APOLB
SCHEMBL9175842 0.87 KMT2A (0.71) CA2CA5ACA1KMT2APOLB
SCHEMBL9180326 0.87 CA1 (0.54) CA2CA5ACA1KMT2APOLB
SCHEMBL9181012 0.86 KMT2A (0.54) CA2CA5AKMT2APOLBLMNA
SCHEMBL8898123 0.86 KMT2A (0.54) CA2CA5AKMT2APOLBLMNA
SCHEMBL8416665 0.85 CA2 (0.72) CA2CA5ACA1KMT2APOLB

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
US-5504109-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed
EP-0485794-B1 Substituted aminoacid amide derivatives, their preparation and use BAYER AG (DE) 1995-08-09 EP disclosed
EP-0485794-A1 Substituted aminoacid amide derivatives, their preparation and use BAYER AG (DE) 1992-05-20 EP disclosed