SCHEMBL8928194

SCHEMBL8928194

CC1CN(C(=O)O)CCN(C(=O)O)CCN(CC(O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.35
PDK2 Q15119 2/20 0.35
PDK3 Q15120 2/20 0.35
PDK4 Q16654 2/20 0.35
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3CD O00329 1/20 0.31

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
SCHEMBL8927900 0.90 KMT2A (0.42) PDK1PDK2PDK3PDK4LMNA
SCHEMBL8302334 0.82 PIK3CD (0.38) LMNAHTTPIK3CD
SCHEMBL5551312 0.79 KDM4E (0.43) LMNAKMT2APIK3CD
SCHEMBL5551323 0.79 PIK3CD (0.33) LMNAPIK3CD
SCHEMBL8927884 0.78 PDK1 (0.41) PDK1PDK2PDK3PDK4
SCHEMBL8560245 0.78 ALDH1A1 (0.43) HTTKMT2A
SCHEMBL7995036 0.77 TSHR (0.41) PDK1PDK2PDK3PDK4LMNA
SCHEMBL4150920 0.77 TSHR (0.41) PDK1PDK2PDK3PDK4LMNA
SCHEMBL8559141 0.76 ALDH1A1 (0.52) LMNAHTTKMT2A
SCHEMBL21354258 0.75 TSHR (0.41) PDK1PDK2PDK3PDK4LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663024-A Liquid toners with hydrocarbon solvents MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-09-02 US disclosed
US-5521271-A Liquid toners with hydrocarbon solvents MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-28 US disclosed
EP-0700393-A1 MACROCYCLIC METAL COMPLEXES CONTAINING FLUORINE SCHERING AG (DE) 1996-03-13 EP disclosed
WO-1994027978-A1 MACROCYCLIC METAL COMPLEXES CONTAINING FLUORINE SCHERING AKTIENGESELLSCHAFT (DE) 1994-12-08 WO disclosed