SCHEMBL7976210

SCHEMBL7976210

C[S+]([O-])CC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ALPL P05186 1/20 0.40
POLB P06746 1/20 0.40
ALPG P10696 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL7763922 1.00 HPGD (0.43) HPGDALDH1A1MAPTALPLPOLB
SCHEMBL7765570 0.86 MMP1 (0.45) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL7969873 0.79 HPGD (0.43) HPGDALDH1A1MAPTALPLPOLB
SCHEMBL7959811 0.79 HPGD (0.40) HPGDALDH1A1MAPTALPLPOLB
SCHEMBL5169748 0.78 ALDH1A1 (0.46) HPGDALDH1A1MAPTSIGMAR1MEN1
SCHEMBL5170328 0.78 ALDH1A1 (0.46) HPGDALDH1A1MAPTSIGMAR1MEN1
SCHEMBL5169742 0.78 ALDH1A1 (0.46) HPGDALDH1A1MAPTSIGMAR1MEN1
SCHEMBL6330627 0.78 CPA1 (0.45) HPGDALDH1A1MAPTSIGMAR1MEN1
SCHEMBL27686290 0.78 CPA1 (0.45) HPGDALDH1A1MAPTSIGMAR1MEN1
SCHEMBL9328442 0.78 HPGD (0.50) HPGDALDH1A1MAPTSIGMAR1MEN1

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
US-6281379-B1 HALOGENATING G-AMINO-B-KETO SULFOXIDE; REACTING WITH ACID AND ALCOHOL; FORMING B-AMINO-A-HYDROXY ACID COMPOUNDS KANEKA CORPORATION (JP) 2001-08-28 US disclosed
EP-1055664-A1 Process for producing norstatin derivatives KANEKA CORPORATION (JP) 2000-11-29 EP disclosed