SCHEMBL9181730

SCHEMBL9181730

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
CA2 P00918 4/20 0.52
CA5A P35218 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 5/20 0.45
CA1 P00915 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL9175500 0.92 KMT2A (0.53) KMT2ALMNAPOLBCA2CA5A
SCHEMBL9178879 0.89 KMT2A (0.67) KMT2ALMNAPOLBCA2CA5A
SCHEMBL8712523 0.89 KMT2A (0.55) KMT2ALMNAPOLBCA2CA5A
SCHEMBL6511684 0.89 KMT2A (0.55) KMT2ALMNAPOLBCA2CA5A
SCHEMBL9178084 0.88 KMT2A (0.53) KMT2ALMNAPOLBCA2CA5A
SCHEMBL6275557 0.82 KMT2A (0.61) KMT2ALMNAPOLBCA2CA5A
SCHEMBL6904742 0.82 KMT2A (0.61) KMT2ALMNAPOLBCA2CA5A
SCHEMBL9178097 0.81 KMT2A (0.55) KMT2ALMNAPOLBCA2CA5A
SCHEMBL9178799 0.81 KMT2A (0.55) KMT2ALMNAPOLBCA2CA5A
SCHEMBL9178662 0.78 KMT2A (0.71) KMT2ALMNAPOLBCA2CA5A

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