SCHEMBL24433208

SCHEMBL24433208

CC(C)C(=O)NCCC(C)(C)OCC(C)(C)C(=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.31

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
SCHEMBL22965794 0.86 CYP1A2 (0.35) CYP1A2KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL26034570 0.82 CNR1 (0.31) KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL19287864 0.80 CYP1A2 (0.36) CYP1A2
SCHEMBL26346962 0.80 CYP1A2 (0.36) CYP1A2
SCHEMBL22388954 0.80 KMT2A (0.36) CYP1A2KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL25730611 0.79
SCHEMBL26034116 0.78
SCHEMBL23029865 0.78 ACACB (0.37) KMT2AMEN1
SCHEMBL18484956 0.78 KMT2A (0.36) CYP1A2KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL22803191 0.77 KMT2A (0.33) KMT2ACYP2D6CYP2C9CYP2C19MEN1

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-20220154271-A1 COMPOSITIONS AND METHODS FOR NUCLEIC ACID SEQUENCING FIRST-CITIZENS BANK & TRUST COMPANY 2022-05-19 US disclosed