SCHEMBL11076258

SCHEMBL11076258

Cc1cn(C)c(CC(=O)O)c1C(=O)O.[NaH].[NaH]

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.53
POLB P06746 3/20 0.50
LMNA P02545 3/20 0.49
NOTUM Q6P988 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KLKB1 P03952 1/20 0.32
CTSB P07858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
CYP3A4 P08684 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL4645532 0.98 TP53 (0.55) TP53POLBLMNANOTUMPTGDR2
SCHEMBL11066272 0.83 TP53 (0.51) TP53POLBLMNANOTUMKDM4E
SCHEMBL23498885 0.81 TP53 (0.49) TP53POLBLMNANOTUMKDM4E
SCHEMBL7678717 0.80 LMNA (0.57) TP53POLBLMNAKDM4EL3MBTL1
SCHEMBL11241475 0.77 TP53 (0.37) TP53POLBLMNAKDM4EALDH1A1
SCHEMBL11214797 0.77 PTGS2 (0.54) TP53POLBLMNAALDH1A1
SCHEMBL23498965 0.75 TP53 (0.44) TP53POLBLMNANOTUMKDM4E
SCHEMBL9959156 0.72 TP53 (0.40) TP53POLBLMNANOTUMKDM4E
SCHEMBL5553127 0.71 TP53 (0.39) TP53POLBLMNANOTUMKDM4E
SCHEMBL21810001 0.69 TP53 (0.43) TP53POLBLMNANOTUMKDM4E

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
US-4451658-A DECARBOXYLATION WITH MINERAL ACID, ALKANOL, AND WATER ETHYL CORPORATION (US) 1984-05-29 US disclosed
WO-1982001552-A1 PROCESS FOR PRODUCING SUBSTITUTED PYRROLES ETHYL CORP (US) 1982-05-13 WO disclosed
EP-0051442-A1 Process for producing substituted pyrroles ETHYL CORPORATION (US) 1982-05-12 EP disclosed