SCHEMBL30005500

SCHEMBL30005500

COC(=O)c1cc(C(OC)OC)ccc1N(C)S(C)(=O)=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
L3MBTL1 Q9Y468 5/20 0.45
POLB P06746 1/20 0.38
TSHR P16473 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL30005737 0.88 KMT2A (0.47) KMT2AL3MBTL1POLBTSHRALDH1A1
SCHEMBL16569907 0.80 KMT2A (0.66) KMT2AL3MBTL1POLBTSHRKDM4E
SCHEMBL6283810 0.79 KMT2A (0.64) KMT2AL3MBTL1POLBTSHRKDM4E
SCHEMBL20683121 0.79 KMT2A (0.64) KMT2AL3MBTL1POLBTSHRKDM4E
SCHEMBL7683509 0.79 KMT2A (0.64) KMT2AL3MBTL1POLBTSHRKDM4E
SCHEMBL30005025 0.77 KMT2A (0.61) KMT2AL3MBTL1POLBTSHRKDM4E
SCHEMBL30005525 0.76 KMT2A (0.59) KMT2AL3MBTL1POLBTSHRKDM4E
SCHEMBL647372 0.75 KMT2A (1.00) KMT2AL3MBTL1POLBTSHRHSD17B10
SCHEMBL9629881 0.72 TTBK1 (0.40) KMT2APOLBTSHRKDM4EHSD17B10
SCHEMBL7555104 0.71 KMT2A (0.66) KMT2AL3MBTL1POLBTSHRKDM4E

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-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 WO disclosed