SCHEMBL7448409

SCHEMBL7448409

C[C@@H](C(=O)O)N(OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SYK P43405 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ CTSK P43235 2/20 0.40
▸ SLC15A1 P46059 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 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
SCHEMBL7448415 1.00 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2L3MBTL1MAPK1SLC6A2
SCHEMBL7382333 0.80 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2L3MBTL1MAPK1SLC6A2
SCHEMBL7473612 0.80 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2L3MBTL1MAPK1SLC6A2
SCHEMBL8043863 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2L3MBTL1MAPK1SLC6A2
SCHEMBL7444517 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2L3MBTL1MAPK1SLC6A2
SCHEMBL7404261 0.78 ABCB1 (0.53) ALDH1A1L3MBTL1MAPK1SLC6A2SLC6A3
SCHEMBL381080 0.78 ABCB1 (0.53) ALDH1A1L3MBTL1MAPK1SLC6A2SLC6A3
SCHEMBL381082 0.78 ABCB1 (0.53) ALDH1A1L3MBTL1MAPK1SLC6A2SLC6A3
SCHEMBL31047723 0.77 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1SLC6A2SLC6A3
SCHEMBL30863382 0.76 ABCB1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1SYKABCB1

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 7 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-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 — — EP claimed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 — — WO 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
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 — — 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
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 — — WO disclosed
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