SCHEMBL22020344

SCHEMBL22020344

CC(C)C[C@@H](COCC(C)(O)c1ccc(S(C)(=O)=O)s1)OCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.32
SLC1A3 P43003 2/20 0.30
SLC1A2 P43004 2/20 0.30
SLC1A1 P43005 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL22020343 0.81 KDM4E (0.36) MEN1KMT2A
SCHEMBL21962731 0.71 CA2 (0.40)
SCHEMBL21962733 0.71 CA2 (0.40)
SCHEMBL22268846 0.69 TSHR (0.39) PSMB5KMT2A
SCHEMBL22012717 0.66 HTT (0.32)
SCHEMBL22020341 0.66 LOX (0.39)
SCHEMBL22012978 0.65 HDAC3 (0.33)
SCHEMBL21962380 0.65 KDM4E (0.33)
SCHEMBL24195509 0.64 PSMB5 (0.44) PSMB5SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL19322680 0.64 TLR2 (0.42)

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