SCHEMBL21646783

SCHEMBL21646783

CC(C)c1c2c(c(CC(=O)O)c3c1CCC3)CCC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.34
RXRB P28702 3/20 0.34
RXRG P48443 3/20 0.34
KDM4E B2RXH2 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
GAA P10253 1/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL21962244 0.80 KDM4E (0.32) RXRARXRBRXRGKDM4ETHRA
SCHEMBL21962118 0.76 KDM4E (0.30) KDM4E
SCHEMBL29687340 0.75 NLRP3 (0.38) RXRARXRBRXRGKDM4ETHRA
SCHEMBL22014852 0.75 NLRP3 (0.38) RXRARXRBRXRGKDM4ETHRA
SCHEMBL19475115 0.75 RXRB (0.33) RXRARXRBRXRGKDM4E
SCHEMBL19475218 0.75 AKR1B1 (0.41) RXRARXRBRXRGKDM4E
SCHEMBL21646791 0.75 LDHA (0.41) KDM4EGAAPOLBKMT2AMEN1
SCHEMBL23762761 0.74 RXRA (0.34) RXRARXRBRXRGKDM4EKMT2A
SCHEMBL21646790 0.72
SCHEMBL20681249 0.70 RXRB (0.40) RXRARXRBRXRGTHRATHRB

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-2020018975-A1 SULFONIMIDAMIDE COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY GENENTECH, INC. (US) 2020-01-23 WO disclosed