SCHEMBL8710228

SCHEMBL8710228

COC(=O)C1CCC(C)CC1C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.32
EPHX2 P34913 2/20 0.32
P2RX7 Q99572 1/20 0.32
TAS1R3 Q7RTX0 4/20 0.32
TAS1R1 Q7RTX1 4/20 0.32
TAS1R2 Q8TE23 4/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL8708942 0.96 KCNQ3 (0.34) KDM4EKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL8709716 0.93 KDM4E (0.35) KDM4EKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL8703827 0.90 KCNQ3 (0.37) KDM4EKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL8707693 0.88 CA1 (0.37) KDM4ETRPM8POLBMAPT
SCHEMBL8709256 0.88 KDM4E (0.40) KDM4EKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL8707674 0.86 KCNQ3 (0.33) KDM4EKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL8005992 0.85 KDM4E (0.35) KDM4EKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL8708019 0.85 CYP1A2 (0.38) ALDH1A1MAPT
SCHEMBL8703748 0.85 TAS1R3 (0.39) KDM4EEPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL8704584 0.85 POLB (0.38) KCNQ3KCNQ2KCNQ4KCNQ5EPHX2

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