SCHEMBL22954940

SCHEMBL22954940

CC#Cc1cc(C)c(C2C(=O)CC(C3CCN(C(=O)NC(C)(C)C)CC3)CC2=O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
DPP4 P27487 1/20 0.35
CETP P11597 1/20 0.34
CSNK1D P48730 1/20 0.33
GRM5 P41594 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32
CSNK1E P49674 3/20 0.32
FASN P49327 1/20 0.31
GPR119 Q8TDV5 2/20 0.30
LCK P06239 1/20 0.30
CSK P41240 1/20 0.30
ZAP70 P43403 1/20 0.30
PLAU P00749 1/20 0.30
F11 P03951 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
TPSAB1 Q15661 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
SCHEMBL22955945 0.92 SMN1; SMN2 (0.37) LMNASMN1; SMN2DPP4CETPCSNK1D
SCHEMBL22955121 0.90 CSNK1D (0.32) CSNK1D
SCHEMBL22954941 0.88 LMNA (0.35) LMNAFASN
SCHEMBL22954989 0.86 ALDH1A1 (0.33) DPP4CNR2FASNGPR119
SCHEMBL22955446 0.85 SLC9A1 (0.33) CNR1FASN
SCHEMBL22954921 0.84 GPR119 (0.47) GPR119
SCHEMBL22954942 0.83 CNR1 (0.34) SMN1; SMN2CNR1
SCHEMBL21343678 0.82 CSNK1D (0.33) LMNASMN1; SMN2CETPCSNK1DGRM5
SCHEMBL22954938 0.81
SCHEMBL22955951 0.80 ACHE (0.43) SMN1; SMN2DPP4GRM5

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-2021018833-A1 CYCLOHEXANEDIONES AS HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-02-04 WO disclosed