SCHEMBL7468837

SCHEMBL7468837

C[C@](C(=O)O)(c1ccccc1)N(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CCR6 P51684 1/20 0.39
PAX8 Q06710 1/20 0.39
LMNA P02545 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
AGTR2 P50052 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
SCHEMBL7468842 1.00 ALDH1A1 (0.45) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL2460578 0.80 KMT2A (0.39) ALDH1A1MAPTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL27221203 0.80 KMT2A (0.39) ALDH1A1MAPTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL3621683 0.80 KMT2A (0.39) ALDH1A1MAPTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL8472474 0.77 FABP5 (0.44) ALDH1A1KMT2AMEN1
SCHEMBL29116698 0.77 FABP5 (0.44) ALDH1A1KMT2AMEN1
SCHEMBL25405336 0.76 PNMT (0.39) ALDH1A1KMT2AMEN1
SCHEMBL15993977 0.76 PNMT (0.39) ALDH1A1KMT2AMEN1
SCHEMBL4799382 0.76 KMT2A (0.40) ALDH1A1MAPTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL7326835 0.76 ALDH1A1 (0.37) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP claimed
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP disclosed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US disclosed