SCHEMBL8090802

SCHEMBL8090802

COC(=O)CC(C)(C)CC(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
KDM4E B2RXH2 3/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 2/20 0.33
HSP90AB1 P08238 1/20 0.33
NLRP3 Q96P20 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8082684 0.84 NLRP3 (0.34) MAPTNPSR1HTTMEN1LMNA
SCHEMBL8089290 0.83 L3MBTL1 (0.33) MAPTNPSR1HTTMEN1LMNA
SCHEMBL8096852 0.82 NPC1 (0.38) MAPTHTTMEN1KMT2AL3MBTL1
SCHEMBL812302 0.82 EGLN1 (0.41) MAPTLMNAL3MBTL1KDM4ECNR2
SCHEMBL769278 0.78 GAA (0.48) MAPTNPSR1MEN1LMNAKMT2A
SCHEMBL12214120 0.74 KDM4E (0.42) MAPTMEN1LMNAKMT2AL3MBTL1
SCHEMBL8744784 0.73 SMN1; SMN2 (0.50) MAPTNPSR1HTTMEN1LMNA
SCHEMBL667630 0.72 TSHR (0.50) MAPTHTTMEN1LMNAKMT2A
SCHEMBL9594732 0.70 SMN1; SMN2 (0.37) MAPTNPSR1HTTMEN1LMNA
SCHEMBL8094213 0.70 KMT2A (0.38) MAPTNPSR1KMT2AKDM4EGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6150304-A HERBICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
US-5840661-A HERBICIDES OR INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed