SCHEMBL22955488

SCHEMBL22955488

CC#Cc1cc(C)c(C2C(=O)CC(C(=O)N3CCN(C(C)=O)CC3)CC2=O)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.33
ACACA Q13085 7/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 2/20 0.32
CASP6 P55212 1/20 0.32
GFER P55789 1/20 0.32
CNR1 P21554 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CNR2 P34972 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
SCHEMBL22954924 0.91 KMT2A (0.36) ALDH1A1TSHRCNR1MEN1MAPT
SCHEMBL22955481 0.88 TSHR (0.30) TSHR
SCHEMBL22954918 0.87 TDP1 (0.36) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL22955480 0.86 SPR (0.30)
SCHEMBL22942018 0.84 RORC (0.32) ACACBACACATSHRCNR1CNR2
SCHEMBL22955446 0.84 SLC9A1 (0.33) ALDH1A1CNR1MAPT
SCHEMBL23344423 0.82 CNR1 (0.32) CASP6GFERCNR1
SCHEMBL22954942 0.82 CNR1 (0.34) TSHRGFERCNR1MEN1MAPT
SCHEMBL22955563 0.81 CHRNB2 (0.32)
SCHEMBL22907832 0.80 ACACB (0.32) ACACBTSHRCASP6GFERCNR1

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