SCHEMBL7741279

SCHEMBL7741279

CCOP(=O)(OCC)C(C)OCC(Oc1c[c]c(F)cc1C#N)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 0.38
CYP2D6 P10635 10/20 0.38
SLC6A2 P23975 10/20 0.38
SLC6A4 P31645 10/20 0.38
KDM4E B2RXH2 1/20 0.36
KCNH2 Q12809 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 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
SCHEMBL6588915 0.83 LMNA (0.31) KDM4ELMNA
SCHEMBL7741275 0.79 KDM4E (0.33) KDM4ELMNA
SCHEMBL5842236 0.68 TSHR (0.32)
SCHEMBL5843335 0.67 CYP11B1 (0.39)
SCHEMBL7755895 0.67 CYP11B1 (0.30)
SCHEMBL6593244 0.67 MAPT (0.38) KDM4EPOLBALDH1A1LMNAMAPT
SCHEMBL6594973 0.66 MAPT (0.35) KDM4EPOLBLMNAMAPT
SCHEMBL8894491 0.66 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5842676 0.64 XDH (0.41)
SCHEMBL5844428 0.63 KDM4E (0.37) KDM4EALDH1A1LMNA

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