SCHEMBL9178662

SCHEMBL9178662

CC(C)OC(=O)N[C@H](C(=O)NCCc1ccc(Cl)cc1)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
LMNA P02545 2/20 0.71
POLB P06746 1/20 0.71
HSD17B10 Q99714 1/20 0.58
HTT P42858 1/20 0.57
CA2 P00918 3/20 0.54
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
CA5A P35218 1/20 0.51
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 2/20 0.45
TSHR P16473 1/20 0.45
CA1 P00915 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL9175842 1.00 KMT2A (0.71) KMT2ALMNAPOLBHSD17B10HTT
SCHEMBL9178879 0.89 KMT2A (0.67) KMT2ALMNAPOLBHSD17B10HTT
SCHEMBL8712523 0.89 KMT2A (0.55) KMT2ALMNAPOLBHSD17B10HTT
SCHEMBL6511684 0.89 KMT2A (0.55) KMT2ALMNAPOLBHSD17B10HTT
SCHEMBL9178097 0.89 KMT2A (0.55) KMT2ALMNAPOLBHSD17B10HTT
SCHEMBL9178799 0.89 KMT2A (0.55) KMT2ALMNAPOLBHSD17B10HTT
SCHEMBL8968192 0.87 CA2 (0.61) KMT2ALMNAPOLBCA2CA5A
SCHEMBL9181012 0.86 KMT2A (0.54) KMT2ALMNAPOLBCA2GAA
SCHEMBL8898123 0.86 KMT2A (0.54) KMT2ALMNAPOLBCA2GAA
SCHEMBL9180326 0.80 CA1 (0.54) KMT2ALMNAPOLBHTTCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5453531-A Insecticides, fungicides for plants BAYER AKTIENGESELLSCHAFT (DE) 1995-09-26 US claimed