SCHEMBL21751759

SCHEMBL21751759

CS(=O)(=O)OCCOCCOCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
TSHR P16473 4/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MMP9 P14780 1/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.34
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
FFAR3 O14843 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL20541242 1.00 LMNA (0.44) LMNATSHRALDH1A1USP2KDM4E
SCHEMBL20139585 1.00 LMNA (0.44) LMNATSHRALDH1A1USP2KDM4E
SCHEMBL21751837 1.00 LMNA (0.44) LMNATSHRALDH1A1USP2KDM4E
SCHEMBL28513153 0.88 TSHR (0.46) LMNATSHRALDH1A1USP2KDM4E
SCHEMBL22367403 0.88 TSHR (0.46) LMNATSHRALDH1A1USP2KDM4E
SCHEMBL2069595 0.87 LMNA (0.52) LMNATSHRALDH1A1USP2KDM4E
SCHEMBL18530451 0.83 TSHR (0.44) LMNATSHRALDH1A1USP2KDM4E
SCHEMBL21070639 0.83 TSHR (0.44) LMNATSHRALDH1A1USP2KDM4E
SCHEMBL21070916 0.83 TSHR (0.44) LMNATSHRALDH1A1USP2KDM4E
SCHEMBL19434532 0.83 TSHR (0.44) LMNATSHRALDH1A1USP2KDM4E

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-2020041406-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 WO disclosed