SCHEMBL22020341

SCHEMBL22020341

CC(O)(CO)c1ccc(S(C)(=O)=O)s1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOX P28300 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.31
CA2 P00918 1/20 0.31
GCK P35557 3/20 0.30
GCKR Q14397 3/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 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
SCHEMBL21962132 0.85 CA2 (0.47) L3MBTL1CA2
SCHEMBL21962134 0.85 CA2 (0.47) L3MBTL1CA2
SCHEMBL21962541 0.85 CA2 (0.47) L3MBTL1CA2
SCHEMBL18371496 0.77 L3MBTL1 (0.45) LOXL3MBTL1LOXL2LMNATSHR
SCHEMBL28132164 0.72 DAO (0.42) LOXL3MBTL1LOXL2CA2
SCHEMBL22020343 0.72 KDM4E (0.36) L3MBTL1LMNATSHR
SCHEMBL22020730 0.70 FFAR2 (0.36) LOXLOXL2GCKGCKR
SCHEMBL19436416 0.70 LOX (0.57) LOXL3MBTL1LOXL2CA2LMNA
SCHEMBL1838092 0.68 LOX (0.58) LOXLOXL2
SCHEMBL7144005 0.66 CA2 (0.44) L3MBTL1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
US-20160248025-A1 Organic Electroluminescent Device UDC IRELAND LTD (IE) 2016-08-25 US disclosed