SCHEMBL7668576

SCHEMBL7668576

CC(C)(C)OC(=O)N1CCCCc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 2/20 0.56
▸ PDK2 Q15119 2/20 0.56
▸ PDK3 Q15120 2/20 0.56
▸ PDK4 Q16654 2/20 0.56
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ BRD4 O60885 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ MPO P05164 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ NOTUM Q6P988 1/20 0.41
▸ GPR119 Q8TDV5 4/20 0.41
▸ RORC P51449 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ P2RY1 P47900 1/20 0.40
▸ LIPE Q05469 1/20 0.39
▸ DHODH Q02127 1/20 0.39

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
SCHEMBL6754913 0.96 PDK1 (0.60) PDK1PDK2PDK3PDK4LMNA
SCHEMBL7385259 0.84 PDK1 (0.61) PDK1PDK2PDK3PDK4LMNA
SCHEMBL7669258 0.83 NOTUM (0.57) LMNAMAPTBRD4HSD17B10MPO
SCHEMBL5638046 0.83 HSD17B10 (0.49) PDK1PDK2PDK3PDK4LMNA
SCHEMBL3657122 0.82 HSD17B10 (0.48) PDK1PDK2PDK3PDK4LMNA
SCHEMBL24011118 0.82 LMNA (0.71) PDK1PDK2PDK3PDK4LMNA
SCHEMBL18109844 0.81 ABHD6 (0.53) PDK1PDK2PDK3PDK4BRD4
SCHEMBL6757671 0.80 PDK1 (0.66) PDK1PDK2PDK3PDK4LMNA
SCHEMBL6752845 0.80 NOTUM (0.59) PDK1PDK2PDK3PDK4LMNA
SCHEMBL4691685 0.79 NOTUM (0.55) PDK1PDK2PDK3PDK4BRD4

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-6369221-B1 Thiazolobenzoheterocycles, preparation and medicines containing same AVENTIS PHARMA S.A. (FR) 2002-04-09 — — US disclosed
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