SCHEMBL8707684

SCHEMBL8707684

COC(=O)C1(C(=O)Cc2c(C)cc(C)cc2C)CCC(OC)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
EPHX2 P34913 1/20 0.32
P2RX7 Q99572 1/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
DPP4 P27487 2/20 0.32
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
TAS1R2 Q8TE23 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
WNT1 P04628 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MMP1 P03956 1/20 0.30
MAPT P10636 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
SCHEMBL8703647 0.95 POLB (0.32) POLBEPHX2P2RX7SLC6A3TAS1R3
SCHEMBL8704313 0.90 MEN1 (0.33) POLBP2RX7DPP4ALDH1A1GAA
SCHEMBL8708079 0.90 DPP4 (0.33) POLBEPHX2P2RX7SLC6A4SLC6A3
SCHEMBL8710240 0.88 HRH3 (0.34) POLBEPHX2P2RX7TAS1R3TAS1R1
SCHEMBL8707419 0.88 POLB (0.35) POLBEPHX2P2RX7SLC6A4SLC6A3
SCHEMBL8704649 0.86 POLB (0.32) POLBDPP4KDM4EHRH3MAPT
SCHEMBL8703631 0.85 MEN1 (0.33) POLBP2RX7ALDH1A1GAA
SCHEMBL8704592 0.85 NPSR1 (0.34) POLBEPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL8703842 0.85 KDM4E (0.34) POLBEPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL8704400 0.85 EPHX2 (0.33) POLBEPHX2P2RX7SLC6A3TAS1R3

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