SCHEMBL22705239

SCHEMBL22705239

C=C(C)N(C)c1cccc2c1CCC2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.47
RXRB P28702 3/20 0.47
RXRG P48443 3/20 0.47
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
ALDH1A1 P00352 2/20 0.37
PPARG P37231 1/20 0.35
DHFR P00374 1/20 0.33
CHRM3 P20309 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
NLRP3 Q96P20 1/20 0.33
NISCH Q9Y2I1 1/20 0.33

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
SCHEMBL20469871 0.83 RXRA (0.44) RXRARXRBRXRGBCL2L1BAD
SCHEMBL9092770 0.80 RXRA (0.53) RXRARXRBRXRGBCL2L1BAD
SCHEMBL20456630 0.78 RXRA (0.49) RXRARXRBRXRGBCL2L1BAD
SCHEMBL31565004 0.78 RXRA (0.49) RXRARXRBRXRGBCL2L1BAD
SCHEMBL15465888 0.78 RXRA (0.50) RXRARXRBRXRGBCL2L1BAD
SCHEMBL3365242 0.74 RXRA (0.50) RXRARXRBRXRGBCL2L1BAD
SCHEMBL12841491 0.71 SIGMAR1 (0.39) ALDH1A1SIGMAR1MEN1LMNAKMT2A
SCHEMBL16559080 0.70 RXRA (0.47) RXRARXRBRXRGBCL2L1BAD
SCHEMBL6720742 0.69 BCL2L1 (0.44) RXRARXRBRXRGBCL2L1BAD
SCHEMBL11775628 0.69 RXRA (0.49) RXRARXRBRXRGBCL2L1BAD

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
EP-3445757-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RES INC (US) 2020-11-25 EP disclosed