SCHEMBL7212684

SCHEMBL7212684

O=C(O)C1=C(O)C(=O)N(Cc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 10/20 0.54
CASP3 P42574 1/20 0.49
PARP1 P09874 1/20 0.48
POLB P06746 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
PREP P48147 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
DHPS P49366 1/20 0.42

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
SCHEMBL27702693 0.89 LIPG (0.50) LIPGKMT2AHDAC6
SCHEMBL27723158 0.87 LIPG (0.60) LIPGCYP2C9CYP2C19KMT2A
SCHEMBL6078714 0.86 LIPG (0.43) LIPGCASP3KMT2AHDAC6DHPS
SCHEMBL6077310 0.84 LIPG (0.56) LIPGPARP1KMT2AL3MBTL1HDAC6
SCHEMBL27723159 0.84 CYP1A2 (0.53) LIPGPOLBCYP2D6CYP2C19
SCHEMBL6078108 0.83 LIPG (0.62) LIPG
SCHEMBL27840855 0.83 PARP1 (0.50) LIPGCASP3PARP1POLBCYP2D6
SCHEMBL6079147 0.82 LIPG (0.54) LIPGPARP1HDAC6
SCHEMBL4755307 0.82 CASP3 (0.70) LIPGCASP3KMT2A
SCHEMBL27723156 0.81 ATM (0.48) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101190894-A Fatty acid synthetic enzyme inhibitor and medical preparation use thereof POISON MED INST PLA MED ACAD (CN) 2008-06-04 CN disclosed
EP-1044204-B1 PROCESS FOR THE PREPARATION OF ALPHA-OXOLACTAMS RES CORP TECHNOLOGIES INC (US) 2003-06-04 EP disclosed
US-6255479-B1 REACTING AN ALPHA-DIAZOLACTAM WITH AN EPOXIDE, IN THE PRESENCE OF A TRANSITION METAL CATALYST (OF RHODIUM, COPPER, OR RHENIUM), YIELDS ALPHA-OXOLACTAM RESEARCH CORPORATION TECHNOLOGIES, INC. 2001-07-03 US disclosed
EP-1044204-A1 PROCESS FOR THE PREPARATION OF ALPHA-OXOLACTAMS Research Corporation Technologies, Inc (US) 2000-10-18 EP disclosed
WO-1999033837-A1 PROCESS FOR THE PREPARATION OF α-OXOLACTAMS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1999-07-08 WO disclosed