SCHEMBL26253129

SCHEMBL26253129

C=CCC(=O)NCCCCNC(=O)CC

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
CASP2 P42575 1/20 0.42
RECQL P46063 1/20 0.41
NAAA Q02083 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MTNR1A P48039 1/20 0.38
FAAH O00519 1/20 0.38
EPHX1 P07099 2/20 0.38

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
SCHEMBL26253127 0.96 MEN1 (0.61) MEN1KMT2AZDHHC20ZDHHC2CASP2
SCHEMBL5139380 0.88 ZDHHC20 (0.58) MEN1KMT2AZDHHC20ZDHHC2CASP2
SCHEMBL4649336 0.86 ZDHHC20 (0.50) MEN1KMT2AZDHHC20ZDHHC2CASP2
SCHEMBL26437443 0.84 MEN1 (0.68) MEN1KMT2AZDHHC20ZDHHC2CASP2
SCHEMBL17229157 0.82 MEN1 (1.00) MEN1KMT2ACASP2RECQLNAAA
SCHEMBL13058102 0.82 MEN1 (0.65) MEN1KMT2AZDHHC20ZDHHC2CASP2
SCHEMBL20859582 0.82 MEN1 (0.65) MEN1KMT2AZDHHC20ZDHHC2CASP2
SCHEMBL6531858 0.82 SMN1; SMN2 (0.41) MEN1KMT2AZDHHC20ZDHHC2CASP2
SCHEMBL11528071 0.81
SCHEMBL11758762 0.80 MEN1 (0.94) MEN1KMT2ACASP2RECQLNAAA

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-4212180-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF The Scripps Research Institute (US) 2023-07-19 EP disclosed