SCHEMBL4654834

SCHEMBL4654834

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.43
TP53 P04637 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
CCR3 P51677 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
GAA P10253 1/20 0.37
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
FPR2 P25090 1/20 0.36
CHRM2 P08172 1/20 0.36

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) MEN1KMT2ALMNAPKML3MBTL1
SCHEMBL4653433 0.87 MEN1 (0.56) TAS2R14TP53MEN1KMT2AALDH1A1
SCHEMBL4654593 0.83 MAPK1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL28841067 0.73 FABP7 (0.56) TAS2R14TP53MEN1KMT2AALDH1A1
SCHEMBL5523736 0.72 L3MBTL1 (0.59) TAS2R14MEN1KMT2AALDH1A1POLB
SCHEMBL5523733 0.72 L3MBTL1 (0.59) TAS2R14MEN1KMT2AALDH1A1POLB
SCHEMBL664380 0.72 MEN1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL1119520 0.72 SLC6A2 (0.46) CCR3
SCHEMBL4654831 0.70 CCR5 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2CCR3
Ammonia Solution, Strong SCHEMBL987776 0.70 SLC6A2 (0.45) CCR3CHRM2CCR5

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