SCHEMBL6552399

SCHEMBL6552399

CCCCC(CC)COC1C(=O)NC(=O)N1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
CYP3A4 P08684 3/20 0.45
CA2 P00918 1/20 0.45
PDE2A O00408 3/20 0.43
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
LMNA P02545 2/20 0.39
PDE9A O76083 2/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6553757 0.81 MEN1 (0.43) ALDH1A1CYP3A4MEN1KMT2AL3MBTL1
SCHEMBL6553109 0.79 HSD11B1 (0.43) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL9334405 0.79 MEN1 (0.44) ALDH1A1CYP3A4MEN1KMT2ALMNA
SCHEMBL6553658 0.79 MEN1 (0.44) ALDH1A1CYP3A4MEN1KMT2ALMNA
SCHEMBL9334414 0.79 MEN1 (0.44) ALDH1A1CYP3A4MEN1KMT2ALMNA
SCHEMBL6552002 0.78 EHMT2 (0.42) ALDH1A1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL7498416 0.78 EHMT2 (0.45) ALDH1A1MEN1KMT2ACYP2C19EHMT2
SCHEMBL9631715 0.78 EHMT2 (0.45) ALDH1A1MEN1KMT2ACYP2C19EHMT2
SCHEMBL3627524 0.78 EHMT2 (0.45) ALDH1A1MEN1KMT2ACYP2C19EHMT2
SCHEMBL6551986 0.72 HSD11B1 (0.48) ALDH1A1MEN1KMT2AEHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070706-B1 Process for the preparation of 1-substituted 5-hydroxy-imidazolin-2,4-diones and 1-substituted 5-alkoxy-imidazolin-2,4-diones BAYER CHEMICALS AG (DE) 2004-02-18 EP disclosed
US-6365752-B1 REACTING GLYOXYLIC ACID AND AN N-SUBSTITUTED UREA IN AQUEOUS SOLUTION AND IN THE PRESENCE OF AN ACID CATALYST; EFFICIENCY; PURITY; NONTOXIC CHEMICAL INTERMEDIATES FOR DRUGS; INSECTICIDES; AMINO ACIDS AND TEXTILE ASSISTANTS BAYER AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
EP-1070706-A1 Process for the preparation of 1-substituted 5-hydroxy-imidazolin-2,4-diones and 1-substituted 5-alkoxy-imidazolin-2,4-diones BAYER AG (DE) 2001-01-24 EP disclosed