SCHEMBL2415111

SCHEMBL2415111

CCC(CC)(CP(=O)(O)O)OCCOCCNC(=O)[C@H](C)N

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TLR2 O60603 12/20 0.38
CA2 P00918 1/20 0.35
S1PR1 P21453 6/20 0.34
S1PR3 Q99500 6/20 0.34
S1PR2 O95136 5/20 0.34
S1PR5 Q9H228 4/20 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
SCHEMBL2414223 0.79 LAP3 (0.34)
SCHEMBL14655413 0.78 MEN1 (0.53) MEN1KMT2ATLR2CA2
SCHEMBL2417339 0.75 LAP3 (0.31)
SCHEMBL2413471 0.75 LAP3 (0.31)
SCHEMBL161534 0.75 LAP3 (0.31)
SCHEMBL13255060 0.72 MEN1 (0.59) MEN1KMT2ATLR2CA2
SCHEMBL2415106 0.71 MEN1 (0.47) MEN1KMT2ATLR2CA2S1PR1
SCHEMBL22307909 0.69 MEN1 (0.55) MEN1KMT2ATLR2CA2
SCHEMBL9122686 0.69 MEN1 (0.55) MEN1KMT2ATLR2CA2
SCHEMBL13360298 0.68 MEN1 (0.54) MEN1KMT2ATLR2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365506-B2 Compounds and compositions as TLR2 agonists NOVARTIS AG (CH) 2016-06-14 US disclosed
WO-2011119759-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. IRM LLC (BM) 2011-09-29 WO disclosed