SCHEMBL7546056

SCHEMBL7546056

CC(=O)Oc1ccc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)[C@H]2C(=O)N(N)[C@H]2OC(C)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GPR34 Q9UPC5 8/20 0.43
CTSL P07711 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
PKM P14618 1/20 0.41
PSMB5 P28074 1/20 0.40
POLB P06746 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL8086169 0.84 GNPAT (0.44) ALDH1A1CTSL
SCHEMBL7451264 0.83 FAAH (0.43) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8089807 0.79 CTSK (0.54) ALDH1A1CTSL
SCHEMBL7441597 0.79 CTSK (0.54) ALDH1A1CTSL
SCHEMBL8078379 0.78 GPR34 (0.66) KMT2AMEN1ALDH1A1LMNAGPR34
SCHEMBL8078373 0.78 GPR34 (0.66) KMT2AMEN1ALDH1A1LMNAGPR34
SCHEMBL7443987 0.77 POLB (0.40) ALDH1A1POLBHDAC1
SCHEMBL7438536 0.77 NOS2 (0.48) ALDH1A1
SCHEMBL7446085 0.77 MEN1 (0.53) KMT2AMEN1ALDH1A1LMNACTSL
SCHEMBL7449163 0.76 F2 (0.48) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817795-B1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR NAEJA PHARMACEUTICAL INC (CA) 2000-11-15 EP claimed
US-5986108-A ENZYME INHIBITORS SYNPHAR LABORATORIES, INC. (CA) 1999-11-16 US claimed
EP-0817795-B1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR NAEJA PHARMACEUTICAL INC (CA) 2000-11-15 EP disclosed
US-5986108-A ENZYME INHIBITORS SYNPHAR LABORATORIES, INC. (CA) 1999-11-16 US disclosed
EP-0817795-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES INC. (CA) 1998-01-14 EP disclosed
WO-1996032408-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES, INC. (US) 1996-10-17 WO disclosed