SCHEMBL11116083

SCHEMBL11116083

CCOC(=O)CCC(N=C(c1ccccc1)c1ccccc1)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.51
TBXAS1 P24557 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
POLB P06746 1/20 0.40
PIN1 Q13526 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL11118461 1.00 AAK1 (0.51) AAK1TBXAS1KMT2AMEN1NPC1
SCHEMBL15192091 0.89 AAK1 (0.68) AAK1TBXAS1KMT2AMEN1NPC1
SCHEMBL15192090 0.89 AAK1 (0.68) AAK1TBXAS1KMT2AMEN1NPC1
SCHEMBL14493754 0.87 AAK1 (0.54) AAK1KMT2AMEN1NPC1ALDH1A1
SCHEMBL5928301 0.84 MEN1 (0.51) AAK1TBXAS1KMT2AMEN1NPC1
SCHEMBL11130905 0.83 AAK1 (0.51) AAK1KMT2AMEN1NPC1ALDH1A1
SCHEMBL2566561 0.83 AAK1 (0.51) AAK1TBXAS1KMT2AMEN1NPC1
SCHEMBL28269146 0.82 AAK1 (0.53) AAK1TBXAS1KMT2AMEN1NPC1
SCHEMBL28269226 0.82 AAK1 (0.74) AAK1TBXAS1KMT2AMEN1NPC1
SCHEMBL1876173 0.82 AAK1 (0.50) AAK1KMT2AMEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57156453-A None JP disclosed
EP-0047516-B1 PROPYLAMINE DERIVATIVE AND PROCESS OF MANUFACTURING THE SAME TORAY INDUSTRIES, INC. (JP) 1984-01-04 EP disclosed
JP-S57156453-A N-(DIPHENYLMETHYLENE)PROPYLAMINE DERIVATIVE TORAY IND INC 1982-09-27 JP disclosed
EP-0047516-A1 Propylamine derivative and process of manufacturing the same TORAY INDUSTRIES, INC. (JP) 1982-03-17 EP disclosed