SCHEMBL20144536

SCHEMBL20144536

CNCCCOCCNC(=O)C(C)(C)CC(C)(C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL24040378 0.74 LMNA (0.31) KMT2ALMNA
SCHEMBL16808282 0.74 MEN1 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL24233229 0.73
SCHEMBL21696330 0.73 EPHX1 (0.46) HTT
SCHEMBL20144622 0.72 KDM4C (0.48) KDM4EALDH1A1KMT2AHTTLMNA
SCHEMBL21206327 0.72 POLB (0.46) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL24192108 0.72 TDP1 (0.51) MEN1KMT2AHTTGAA
SCHEMBL10172400 0.71 POLB (0.35) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL24925800 0.71 MEN1 (0.44) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20144634 0.71 GGT1 (0.33) ALDH1A1POLB

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-3321279-A1 EXENATIDE MODIFIER AND USE THEREOF Bright Gene Bio-Medical Technology Co., Ltd. (CN) 2018-05-16 EP disclosed