SCHEMBL20011625

SCHEMBL20011625

CCCC(O)C(N)C(O)CN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ SPHK1 Q9NYA1 2/20 0.37
▸ CYP2D6 P10635 2/20 0.34
▸ GMNN O75496 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CETP P11597 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ UBE2N P61088 1/20 0.34
▸ METAP1 P53582 2/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ ALDH1A1 P00352 2/20 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
SCHEMBL2341056 0.81 — —
SCHEMBL4172957 0.79 ALDH1A1 (0.33) SPHK1ALDH1A1
SCHEMBL14753848 0.79 ALDH1A1 (0.33) SPHK1ALDH1A1
SCHEMBL11669917 0.77 — —
SCHEMBL3634012 0.77 — —
SCHEMBL15375240 0.74 LMNA (0.42) LMNASPHK1CYP2D6GMNNPOLB
SCHEMBL687757 0.73 LMNA (0.38) LMNASPHK1CYP2D6GMNNPOLB
SCHEMBL3773242 0.73 — —
SCHEMBL6236266 0.72 — —
SCHEMBL5424653 0.72 — —

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
EP-2569324-B9 AMINOGLYCOSIDE DERIVATIVES REMPEX PHARMACEUTICALS INC (US) 2018-03-28 — — EP disclosed
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