SCHEMBL22955945

SCHEMBL22955945

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.34
CETP P11597 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
DPP4 P27487 1/20 0.32
P2RY12 Q9H244 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX5 P09917 1/20 0.31
CSNK1D P48730 1/20 0.30
POLB P06746 1/20 0.30
HCRTR1 O43613 2/20 0.30
HCRTR2 O43614 2/20 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
SCHEMBL22954940 0.92 LMNA (0.38) SMN1; SMN2LMNACETPDPP4CSNK1D
SCHEMBL22955943 0.90 LMNA (0.32) LMNAL3MBTL1
SCHEMBL22954959 0.88 HTR4 (0.31) ADRA1DADRA1AADRA1B
SCHEMBL22954946 0.87 QDPR (0.36) POLB
SCHEMBL22954958 0.85 GAA (0.38) SMN1; SMN2LMNA
SCHEMBL21344244 0.85 HTR1A (0.36) SMN1; SMN2LMNAHTR1AADRA1DADRA1A
SCHEMBL22954962 0.84 PDE4B (0.31)
SCHEMBL22955946 0.84 BDKRB1 (0.34) POLB
SCHEMBL24120449 0.83 CSNK1D (0.32) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL22954961 0.82 CCNT1 (0.34) L3MBTL1

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