SCHEMBL8707674

SCHEMBL8707674

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
POLB P06746 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
EPHX2 P34913 1/20 0.32
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CFB P00751 3/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
NR1I2 O75469 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 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
SCHEMBL8707406 0.96 KCNQ3 (0.33) KCNQ3KCNQ2KCNQ4KCNQ5POLB
SCHEMBL8703643 0.93 MAPT (0.34) KCNQ3KCNQ2KCNQ4KCNQ5POLB
SCHEMBL8704301 0.91 POLB (0.37) POLBHTT
SCHEMBL8703827 0.89 KCNQ3 (0.37) KCNQ3KCNQ2KCNQ4KCNQ5POLB
SCHEMBL8019597 0.88 KDM4E (0.35) KCNQ3KCNQ2KCNQ4KCNQ5POLB
SCHEMBL8704063 0.87 POLB (0.38) POLBKDM4EHTT
SCHEMBL8710228 0.86 KDM4E (0.33) KCNQ3KCNQ2KCNQ4KCNQ5POLB
SCHEMBL8015561 0.86 LTC4S (0.36) KCNQ3KCNQ2KCNQ4KCNQ5POLB
SCHEMBL8708651 0.86 CA1 (0.38) POLBKDM4EMAPTALDH1A1MEN1
SCHEMBL8708019 0.84 CYP1A2 (0.38) MAPTALDH1A1CYP1A2CYP2D6CYP2C19

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