SCHEMBL7448732

SCHEMBL7448732

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40
▸ ALOX5 P09917 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
SCHEMBL9317602 0.88 ALDH1A1 (0.53) ALDH1A1MAPTHPGDKMT2AMAPK1
SCHEMBL2232913 0.85 ALDH1A1 (0.50) ALDH1A1MAPTHPGDKMT2AMAPK1
SCHEMBL31242951 0.80 ALDH1A1 (0.51) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL1747758 0.78 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL8694600 0.78 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL19483145 0.77 ALDH1A1 (0.51) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL8649093 0.77 ALDH1A1 (0.51) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL48133 0.77 ALDH1A1 (0.63) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL7092274 0.76 ALDH1A1 (0.58) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL19357488 0.76 ALDH1A1 (0.50) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 — — EP 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
Send feedback