SCHEMBL24240484

SCHEMBL24240484

CC(C)C(C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.40
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 3/20 0.34
HTT P42858 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
AKT1 P31749 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
FNTA P49354 1/20 0.32

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
SCHEMBL26707214 0.91 MGLL (0.42) MGLLPOLBHSD17B10MEN1KMT2A
SCHEMBL21780805 0.91 MGLL (0.42) MGLLPOLBHSD17B10MEN1KMT2A
SCHEMBL13407964 0.88 MGLL (0.37) MGLLPOLBHSD17B10MEN1KMT2A
SCHEMBL20802043 0.88 MGLL (0.54) MGLLSMN1; SMN2HPGDHTTCYP2C19
SCHEMBL31520126 0.88 MGLL (0.54) MGLLSMN1; SMN2HPGDHTTCYP2C19
SCHEMBL18086985 0.88 MGLL (0.38) MGLLPOLBHSD17B10MEN1KMT2A
SCHEMBL20258360 0.88 MGLL (0.38) MGLLPOLBHSD17B10MEN1KMT2A
SCHEMBL25834988 0.87 POLB (0.44) MGLLPOLBHSD17B10MEN1KMT2A
SCHEMBL17841886 0.87 MGLL (0.37) MGLLPOLBHSD17B10MEN1KMT2A
SCHEMBL24176122 0.87 MGLL (0.37) MGLLPOLBHSD17B10MEN1KMT2A

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
EP-3949969-A2 BENZAZEPINE COMPOUNDS, CONJUGATES, AND USES THEREOF Silverback Therapeutics, Inc. (US) 2022-02-09 EP disclosed