SCHEMBL7708500

SCHEMBL7708500

CCCCCCCOc1ccc(-c2ccc(CC[C@H](CC(=O)OC(C)(C)C)N(CCc3ccccc3)Cc3ccccc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 4/20 0.42
S1PR4 O95977 2/20 0.42
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 2/20 0.42
S1PR5 Q9H228 1/20 0.42
RARB P10826 3/20 0.41
LTB4R2 Q9NPC1 2/20 0.40
LTB4R Q15722 1/20 0.40
ACHE P22303 3/20 0.40
PLA2G4B P0C869 1/20 0.39
MMP12 P39900 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
SCHEMBL5492443 0.86 S1PR4 (0.41) BCHES1PR4S1PR1S1PR3S1PR5
SCHEMBL5492439 0.86 S1PR4 (0.41) BCHES1PR4S1PR1S1PR3S1PR5
SCHEMBL28319178 0.84 CTSK (0.46)
SCHEMBL5495309 0.79 S1PR1 (0.51) S1PR4S1PR1S1PR3S1PR5RARB
SCHEMBL5495307 0.79 S1PR1 (0.51) S1PR4S1PR1S1PR3S1PR5RARB
SCHEMBL5492435 0.77 S1PR1 (0.37) S1PR4S1PR1S1PR3S1PR5RARB
SCHEMBL18568181 0.77 CTSK (0.45)
SCHEMBL18956285 0.77 L3MBTL1 (0.44) MEN1KMT2ABCHE
SCHEMBL18956284 0.77 L3MBTL1 (0.44) MEN1KMT2ABCHE
SCHEMBL18956288 0.72 REN (0.38) MEN1KMT2A

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
EP-1251827-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS Basilea Pharmaceutica AG (CH) 2002-10-30 EP disclosed
WO-2001052894-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2001-07-26 WO disclosed