SCHEMBL7444517

SCHEMBL7444517

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CTSK P43235 3/20 0.40
▸ CTSS P25774 2/20 0.40
▸ CTSL P07711 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ SLC15A1 P46059 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 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
SCHEMBL15564386 0.82 ALDH1A1 (0.51) ALDH1A1L3MBTL1POLBLMNAHSD17B10
SCHEMBL18980750 0.82 ALDH1A1 (0.51) ALDH1A1L3MBTL1POLBLMNAHSD17B10
SCHEMBL7453248 0.82 ALDH1A1 (0.51) ALDH1A1L3MBTL1POLBLMNAHSD17B10
SCHEMBL17343085 0.80 ALDH1A1 (0.44) ALDH1A1L3MBTL1POLBLMNAHSD17B10
SCHEMBL25177942 0.80 ALDH1A1 (0.49) ALDH1A1L3MBTL1POLBLMNAHSD17B10
SCHEMBL7438640 0.80 ALDH1A1 (0.49) ALDH1A1L3MBTL1POLBLMNAHSD17B10
SCHEMBL7448415 0.78 ALDH1A1 (0.45) ALDH1A1L3MBTL1POLBLMNACTSK
SCHEMBL7448409 0.78 ALDH1A1 (0.45) ALDH1A1L3MBTL1POLBLMNACTSK
SCHEMBL7411862 0.78 ALDH1A1 (0.45) ALDH1A1L3MBTL1POLBLMNAHSD17B10
SCHEMBL9317837 0.78 ALDH1A1 (0.45) ALDH1A1L3MBTL1POLBLMNAHSD17B10

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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