SCHEMBL8708651

SCHEMBL8708651

CCOC(=O)C1CC(OC)CC1C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.38
CA2 P00918 10/20 0.38
CA9 Q16790 8/20 0.38
CA12 O43570 7/20 0.38
POLB P06746 2/20 0.36
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
NLRP3 Q96P20 1/20 0.33
MDM2 Q00987 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
SCHEMBL8704301 0.95 POLB (0.37) CA1CA2CA9CA12POLB
SCHEMBL8704063 0.94 POLB (0.38) CA1CA2CA9CA12POLB
SCHEMBL8703643 0.89 MAPT (0.34) POLBKDM4EMEN1MAPTKMT2A
SCHEMBL8710408 0.86 KDM4E (0.42) CA1CA2CA9CA12POLB
SCHEMBL8019308 0.86 KDM4E (0.37) CA1CA2CA9CA12POLB
SCHEMBL8704002 0.86 CA1 (0.37) CA1CA2CA9CA12POLB
SCHEMBL8709035 0.86 CA1 (0.37) CA1CA2CA9CA12POLB
SCHEMBL8703906 0.86 POLB (0.39) CA1CA2CA9CA12POLB
SCHEMBL8707674 0.86 KCNQ3 (0.33) POLBKDM4EMEN1MAPTKMT2A
SCHEMBL8019597 0.84 KDM4E (0.35) CA1CA2CA9CA12POLB

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