SCHEMBL8477759

SCHEMBL8477759

CC(=O)N1CCC(C(=O)O)CC1(C)N(C(C)=O)c1ccc(C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
EPHX2 P34913 8/20 0.35
PDK2 Q15119 1/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8481634 0.86 KDM4E (0.36) NOTUMEPHX2KDM4EGAATSHR
SCHEMBL6764669 0.70 NOTUM (0.38) NOTUMEPHX2PDK2KDM4EGAA
SCHEMBL8477754 0.69 P2RX7 (0.37) NOTUMEPHX2GAATSHRMEN1
SCHEMBL8481385 0.69 NOTUM (0.33) NOTUMKDM4EHSD17B10USP2HPGD
SCHEMBL6767298 0.68 POLB (0.38) NOTUMKDM4EGAATSHRHSD17B10
SCHEMBL6767279 0.66 ALDH1A1 (0.37) NOTUMKDM4ETSHRMEN1KMT2A
SCHEMBL8481630 0.65 EPHX2 (0.39) NOTUMEPHX2KDM4EGAAHSD17B10
SCHEMBL6767104 0.64 HIF1A (0.38) NOTUMTSHRMEN1KMT2AUSP2
SCHEMBL6764661 0.62 OPRM1 (0.40) NOTUMKDM4ETSHRMEN1KMT2A
SCHEMBL6764663 0.61 DRD2 (0.38) KDM4ETSHRHSD17B10

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
US-5981567-A ARTHROPODICIDAL OR NEMATICIDAL COMPOSITION BAYER AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed