SCHEMBL7304558

SCHEMBL7304558

O=C(CCC(=O)N1CCC[C@H]1C(O)C[S+]([O-])c1ccccc1)NCc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.42
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
F2 P00734 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 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
SCHEMBL7291612 0.83 LMNA (0.52) LMNASMN1; SMN2POLBDPP4DPP8
SCHEMBL7301585 0.82 LMNA (0.50) LMNASMN1; SMN2POLBDPP4DPP8
SCHEMBL7301582 0.82 LMNA (0.50) LMNASMN1; SMN2POLBDPP4DPP8
SCHEMBL7297403 0.82 LMNA (0.50) LMNASMN1; SMN2POLBDPP4DPP8
SCHEMBL29416795 0.75 LMNA (0.55) LMNASMN1; SMN2POLBF2HRH3
SCHEMBL7289930 0.75 LMNA (0.55) LMNASMN1; SMN2POLBF2HRH3
SCHEMBL7307176 0.74 PREP (0.57) DPP4DPP8DPP7ALDH1A1KMT2A
SCHEMBL7283244 0.73 CYP3A4 (0.48) LMNADPP4DPP8DPP7ALDH1A1
SCHEMBL1804892 0.73 LMNA (0.55) LMNASMN1; SMN2POLBDPP4DPP8
SCHEMBL1237539 0.73 LMNA (0.55) LMNASMN1; SMN2POLBDPP4DPP8

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-0468469-A2 Proline derivatives Japan Tobacco Inc. (JP) 1992-01-29 EP disclosed