SCHEMBL22955947

SCHEMBL22955947

CC(=O)N1CCC(C2CC(=O)C(c3c(C)cc(-n4cc(F)cn4)cc3C)C(=O)C2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 4/20 0.37
KAT6A Q92794 3/20 0.35
IDO1 P14902 1/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
MAPT P10636 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
SPR P35270 1/20 0.31
OPRL1 P41146 1/20 0.31
NPY5R Q15761 1/20 0.31
SYK P43405 1/20 0.30
MARK3 P27448 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL22955939 0.85 KAT6A (0.32) KAT6A
SCHEMBL21361226 0.82 KAT6A (0.35) RIPK2KAT6AIDO1
SCHEMBL22955949 0.81 ACACB (0.35) IDO1DPP4DPP7MAPTHDAC3
SCHEMBL22954975 0.79 HTT (0.36) MAPT
SCHEMBL22954964 0.78 HDAC1 (0.47) DPP4DPP7MAPTHDAC3HDAC1
SCHEMBL22955446 0.73 SLC9A1 (0.33) MAPT
SCHEMBL21361311 0.70 CYP2C9 (0.36) RIPK2IDO1
SCHEMBL22955942 0.69 FASN (0.40) IDO1
SCHEMBL22955564 0.69 ACHE (0.41) IDO1
SCHEMBL22954942 0.65 CNR1 (0.34) MAPT

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