SCHEMBL22048804

SCHEMBL22048804

CCC(=O)NCCC(=O)NCCCC(C)C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 1/20 0.46
CNR1 P21554 1/20 0.44
CASP2 P42575 1/20 0.44
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
NAAA Q02083 1/20 0.42
NAMPT P43490 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
FAAH O00519 1/20 0.40
EPHX1 P07099 1/20 0.40
RECQL P46063 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DNM1 Q05193 1/20 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
SCHEMBL14049277 0.92 MEN1 (0.67) MEN1KMT2AALDH1A1CNR1CASP2
SCHEMBL9976347 0.87 MEN1 (0.59) MEN1KMT2AALDH1A1CNR1CASP2
SCHEMBL14086890 0.86 KMT2A (0.71) MEN1KMT2AALDH1A1CNR1CASP2
SCHEMBL24654076 0.85 KDM4E (0.48) MEN1KMT2AALDH1A1CNR1CASP2
SCHEMBL29040294 0.85 MEN1 (0.68) MEN1KMT2AALDH1A1CASP2NAAA
SCHEMBL31035882 0.85 MEN1 (0.68) MEN1KMT2AALDH1A1CASP2NAAA
SCHEMBL15855121 0.85 MEN1 (0.68) MEN1KMT2AALDH1A1CASP2NAAA
SCHEMBL4904632 0.85 CASP2 (0.62) MEN1KMT2AALDH1A1CNR1CASP2
SCHEMBL15855122 0.85 MEN1 (0.68) MEN1KMT2AALDH1A1CASP2NAAA
SCHEMBL16248615 0.84 ALDH1A1 (0.57) MEN1KMT2AALDH1A1CNR1CASP2

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-2020109526-A2 OXYNTOMODULIN PEPTIDE ANALOG FORMULATIONS Opko Ireland Global Holdings, Ltd. (KY) 2020-06-04 WO disclosed