SCHEMBL7741275

SCHEMBL7741275

CCOP(=O)(OCC)C(C)Oc1ccccc1C(C)Oc1c[c]c(F)cc1C#N

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
AR P10275 3/20 0.32
LMNA P02545 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
ACHE P22303 1/20 0.31
ALK Q9UM73 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
SCHEMBL6588915 0.89 LMNA (0.31) KDM4ELMNAMEN1GAAKMT2A
SCHEMBL7741277 0.82 KDM4E (0.33) KDM4EMEN1GAAKMT2AACHE
SCHEMBL7741279 0.79 NOS2 (0.38) KDM4ELMNA
SCHEMBL6594973 0.72 MAPT (0.35) KDM4ELMNAMEN1GAAKMT2A
SCHEMBL5842236 0.69 TSHR (0.32) AR
SCHEMBL5843335 0.68 CYP11B1 (0.39) AR
SCHEMBL6593244 0.68 MAPT (0.38) KDM4ELMNAMEN1GAAKMT2A
SCHEMBL8894491 0.67 ALDH1A1 (0.33) AR
SCHEMBL7755895 0.66 CYP11B1 (0.30)
SCHEMBL11674829 0.65 POLB (0.43) KDM4ELMNACA12CA1CA2

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-6426318-B1 KILLING WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-30 US disclosed