SCHEMBL22014723

SCHEMBL22014723

CC(=O)Cc1c(C(C)C)ccc(F)c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
POLB P06746 1/20 0.33
P2RX7 Q99572 1/20 0.32
EIF4A3 P38919 1/20 0.31
LPAR1 Q92633 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
RECQL P46063 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
SCHEMBL19475598 0.87 EIF4A3 (0.37) GABRA1GABRG2GABRB3P2RX7EIF4A3
SCHEMBL25139268 0.85 SIRT1 (0.39) GABRA1GABRG2GABRB3P2RX7EIF4A3
SCHEMBL25139377 0.84 GABRA1 (0.33) GABRA1GABRG2GABRB3P2RX7EIF4A3
SCHEMBL19507076 0.82 MTNR1A (0.39)
SCHEMBL25139023 0.80 GABRA1 (0.35) GABRA1GABRG2GABRB3POLB
SCHEMBL22015593 0.79 NLRP3 (0.32) EIF4A3
SCHEMBL23692145 0.78 SLC9A1 (0.30)
SCHEMBL25138925 0.76 SLC9A1 (0.32)
SCHEMBL15271468 0.72 CES2 (0.40) POLBP2RX7
SCHEMBL30289334 0.72 CES2 (0.40) POLBP2RX7

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-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed