SCHEMBL24567764

SCHEMBL24567764

CCOC(=O)CCC(=O)N[C@H](C)CC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.45
GAA P10253 2/20 0.45
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8236193 0.85 KMT2A (0.53) KMT2APOLBL3MBTL1HPGDGAA
SCHEMBL8345429 0.85 GAA (0.54) KMT2APOLBL3MBTL1HPGDGAA
SCHEMBL13850690 0.83 KMT2A (0.56) KMT2APOLBL3MBTL1HPGDGAA
SCHEMBL799655 0.76 SMN1; SMN2 (0.53) HPGDSMN1; SMN2ALDH1A1MMP1MMP2
SCHEMBL13458546 0.76 SMN1; SMN2 (0.53) HPGDSMN1; SMN2ALDH1A1MMP1MMP2
SCHEMBL23480155 0.76 SMN1; SMN2 (0.51) KMT2APOLBHPGDSMN1; SMN2ALDH1A1
SCHEMBL7262590 0.76 SMN1; SMN2 (0.51) KMT2APOLBHPGDSMN1; SMN2ALDH1A1
SCHEMBL3987200 0.76 GAA (0.46) KMT2APOLBL3MBTL1GAAMGAM
Succinic Acid Diethyl Ester SCHEMBL22780 0.74 GAA (0.67) POLBL3MBTL1GAAMGAMSI
Succinic Acid Diethyl Ester SCHEMBL27768067 0.74 GAA (0.67) POLBL3MBTL1GAAMGAMSI

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-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed