SCHEMBL8710393

SCHEMBL8710393

Cc1cc(C)c(CC(=O)C2CC3OC(C)(C)OC3CC2C(=O)O)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
GRIK2 Q13002 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
SCHEMBL8704628 0.84 KDM4E (0.33) KDM4EPOLBMAPTGRIK2
Bicarbonate SCHEMBL8006134 0.82 MAPT (0.33) KDM4EPOLBMAPT
SCHEMBL8019429 0.81 KDM4E (0.36) KDM4EPOLBMAPTGRIK2
SCHEMBL8019369 0.81 POLB (0.36) KDM4EPOLBMAPTGRIK2
SCHEMBL8021762 0.81 CA1 (0.42) KDM4EPOLBMAPTGRIK2
Bicarbonate SCHEMBL8015342 0.80 EPHX2 (0.31)
SCHEMBL8017376 0.79 KDM4E (0.39) KDM4EPOLBMAPTGRIK2
SCHEMBL8019308 0.77 KDM4E (0.37) KDM4EPOLBMAPTGRIK2
SCHEMBL8005992 0.76 KDM4E (0.35) KDM4EPOLBMAPTGRIK2
SCHEMBL8022727 0.76 KDM4E (0.35) KDM4EPOLBMAPTGRIK2

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