SCHEMBL8666752

SCHEMBL8666752

CCCCC(Oc1ccc(N2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)C(=O)C2=O)cc1)C(=O)OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
USP30 Q70CQ3 2/20 0.38
PDE4D Q08499 1/20 0.38
GPR119 Q8TDV5 8/20 0.37
LIPE Q05469 2/20 0.37
CTSD P07339 1/20 0.37
CTSE P14091 1/20 0.37
BACE1 P56817 1/20 0.37
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8669066 0.89 PDE4D (0.38) TP53USP30PDE4DGPR119LIPE
SCHEMBL8668453 0.84 GPR119 (0.39) TP53PDE4DGPR119CTSDCTSE
SCHEMBL9030280 0.66 TP53 (0.51) TP53PDE4DGPR119
SCHEMBL27189242 0.62 TP53 (0.59) TP53USP30GPR119CTSDCTSE
SCHEMBL13335340 0.62 GPR119 (0.70) GPR119
SCHEMBL3756538 0.61 GPR119 (0.52) TP53USP30GPR119LMNA
SCHEMBL3756543 0.61 GPR119 (0.52) TP53USP30GPR119LMNA
SCHEMBL31441564 0.61 TP53 (0.48) TP53USP30GPR119CTSDCTSE
SCHEMBL31441589 0.61 TP53 (0.48) TP53USP30GPR119CTSDCTSE
SCHEMBL15019525 0.61 HRH3 (0.55) GPR119ALDH1A1SMN1; SMN2

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-5814636-A TREATMENT AND PROPHYLAXIS OF THROMBOTIC DISEASES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-09-29 US disclosed