SCHEMBL8709256

SCHEMBL8709256

COC(=O)C1CC(C)C(C)CC1C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 2/20 0.34
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL8709716 0.91 KDM4E (0.35) KDM4ETAS1R3TAS1R1TAS1R2KCNQ3
SCHEMBL8708019 0.89 CYP1A2 (0.38) MAPTALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL8703827 0.88 KCNQ3 (0.37) KDM4ETAS1R3TAS1R1TAS1R2KCNQ3
SCHEMBL8710228 0.88 KDM4E (0.33) KDM4ETAS1R3TAS1R1TAS1R2KCNQ3
SCHEMBL8710408 0.87 KDM4E (0.42) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL8703643 0.87 MAPT (0.34) KDM4ETAS1R3TAS1R1TAS1R2KCNQ3
SCHEMBL8703857 0.87 KDM4E (0.38) KDM4ETAS1R3TAS1R1TAS1R2KCNQ3
SCHEMBL8708942 0.86 KCNQ3 (0.34) KDM4ETAS1R3TAS1R1TAS1R2KCNQ3
SCHEMBL8019429 0.85 KDM4E (0.36) KDM4ETAS1R3TAS1R1TAS1R2KCNQ3
SCHEMBL8704389 0.85 KDM4E (0.36) KDM4ETAS1R3TAS1R1TAS1R2KCNQ3

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