SCHEMBL6987291

SCHEMBL6987291

CC(C)(C)N(C(=O)O)[C@H](C=O)CSc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.42
MTNR1B P49286 4/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MMP2 P08253 4/20 0.33
MMP9 P14780 4/20 0.33
EGFR P00533 1/20 0.33
MMP3 P08254 4/20 0.33
PLA2G10 O15496 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP13 P45452 2/20 0.33
MMP1 P03956 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL28510626 0.78
SCHEMBL28510625 0.78
SCHEMBL5474507 0.78 MEN1 (0.48) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL1000812 0.78 MEN1 (0.48) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL14717641 0.78 MEN1 (0.48) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL9101145 0.75 KMT2A (0.52) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL6950297 0.75 MTNR1A (0.40) MTNR1AMTNR1BMAOAMAOBMEN1
SCHEMBL6945466 0.75 MTNR1A (0.40) MTNR1AMTNR1BMAOAMAOBMEN1
SCHEMBL13537403 0.73 MAOA (0.40) MTNR1AMTNR1BMAOAMAOBMEN1
SCHEMBL6792263 0.72 MTNR1A (0.38) MTNR1AMTNR1BMAOAMAOBMEN1

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-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed