SCHEMBL8704362

SCHEMBL8704362

COC(=O)C12CCCCC1(C(=O)Cc1c(C)cc(C)cc1C)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
EPHX2 P34913 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 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
SCHEMBL8706084 0.92 LMNA (0.34) NPSR1LMNATHRBPOLBMAPT
SCHEMBL8704592 0.85 NPSR1 (0.34) NPSR1LMNATHRBPOLBMAPT
SCHEMBL8703756 0.84 LMNA (0.35) NPSR1LMNATHRBPOLBKDM4E
SCHEMBL8707857 0.84 KDM4E (0.37) POLBMAPTKDM4EEPHX2MEN1
SCHEMBL8703842 0.82 KDM4E (0.34) POLBMAPTKDM4EEPHX2SMN1; SMN2
SCHEMBL8707999 0.80 SLC6A4 (0.34) POLBSMN1; SMN2MEN1KMT2A
SCHEMBL8703873 0.78 MEN1 (0.35) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL8022573 0.78 KDM4E (0.35) POLBMAPTKDM4EKMT2A
SCHEMBL8703338 0.78 LMNA (0.33) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL8707684 0.77 POLB (0.33) NPSR1POLBMAPTKDM4EEPHX2

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-5808135-A HERBICIDE; PESTICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed