SCHEMBL21765846

SCHEMBL21765846

CCC(=O)NCCCCCNC(=O)CC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.94
KMT2A Q03164 1/20 0.94
CASP2 P42575 1/20 0.60
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NAAA Q02083 1/20 0.56
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 1/20 0.55
HIF1A Q16665 1/20 0.55
EPHX1 P07099 6/20 0.54
RECQL P46063 1/20 0.50
FAAH O00519 1/20 0.50

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
SCHEMBL11758762 1.00 MEN1 (0.94) MEN1KMT2ACASP2ALDH1A1SMN1; SMN2
SCHEMBL9259257 1.00 MEN1 (0.94) MEN1KMT2ACASP2ALDH1A1SMN1; SMN2
SCHEMBL17229157 0.97 MEN1 (1.00) MEN1KMT2ACASP2ALDH1A1SMN1; SMN2
SCHEMBL1901704 0.93 MEN1 (0.81) MEN1KMT2ACASP2NAAAEPHX1
SCHEMBL2944555 0.93 MEN1 (0.81) MEN1KMT2ACASP2NAAAEPHX1
SCHEMBL8209020 0.93 MEN1 (0.81) MEN1KMT2ACASP2NAAAEPHX1
SCHEMBL8197425 0.93 MEN1 (0.81) MEN1KMT2ACASP2NAAAEPHX1
SCHEMBL4501660 0.93 MEN1 (0.81) MEN1KMT2ACASP2NAAAEPHX1
SCHEMBL8210316 0.93 MEN1 (0.81) MEN1KMT2ACASP2NAAAEPHX1
SCHEMBL10866272 0.93 MEN1 (0.81) MEN1KMT2ACASP2NAAAEPHX1

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
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed