SCHEMBL4653433

SCHEMBL4653433

O=C(O)NCOC(=O)C1CCC(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 3/20 0.43
POLB P06746 3/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.42
ALDH1A1 P00352 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HPGD P15428 1/20 0.39
SLC6A4 P31645 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
SCHEMBL4653452 0.88 L3MBTL1 (0.49) MEN1KMT2ALMNAHPGD
SCHEMBL4654834 0.87 TAS2R14 (0.43) MEN1KMT2ALMNAPOLBTAS2R14
SCHEMBL4654593 0.83 MAPK1 (0.48) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL14937275 0.73 MEN1 (0.56) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL5523733 0.72 L3MBTL1 (0.59) MEN1KMT2ALMNAPOLBTAS2R14
SCHEMBL5523736 0.72 L3MBTL1 (0.59) MEN1KMT2ALMNAPOLBTAS2R14
SCHEMBL664380 0.72 MEN1 (0.53) MEN1KMT2ALMNAPOLBTSHR
SCHEMBL1119467 0.72 ALDH1A1 (0.59) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL4653432 0.70 CCR5 (0.41) MEN1KMT2ALMNAALDH1A1SLC6A2
SCHEMBL5522771 0.69 MEN1 (0.53) MEN1KMT2APOLBMAPTALDH1A1

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-1602354-B1 Use of polyglutamic acid or its salts MEIJI SEIKA KAISHA (JP) 2008-11-05 EP disclosed
EP-1602354-A1 HAIR TREATMENT COMPOSITION AND HAIR COSMETIC FOR DAMAGED HAIR Meiji Seika Kaisha, Ltd. (JP) 2005-12-07 EP disclosed