SCHEMBL8412595

SCHEMBL8412595

CCOC(=O)C(C)(C(=O)OCC)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.41
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
ALDH1A1 P00352 2/20 0.39
PKM P14618 3/20 0.38
MMP8 P22894 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 2/20 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
SCHEMBL11804056 0.83 FBP1 (0.44) FBP1CYP4F2CYP4A11ALDH1A1PKM
Fluorobenzene SCHEMBL10780996 0.82 FBP1 (0.44) FBP1ALDH1A1MMP8MEN1KMT2A
SCHEMBL17674102 0.80 ALDH1A1 (0.40) FBP1CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL11803604 0.79 FBP1 (0.39) FBP1CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL5528368 0.77 FBP1 (0.37) FBP1CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL7620521 0.77 FBP1 (0.38) FBP1CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL28272742 0.77 CYP4F2 (0.39) FBP1CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL8398253 0.77 FBP1 (0.40) FBP1ALDH1A1PKMKDM4EMEN1
SCHEMBL28215158 0.75 CYP4F2 (0.46) FBP1CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL8400791 0.75 PKM (0.43) FBP1CYP4F2CYP4A11ALDH1A1PKM

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
EP-0811602-B1 Process for the preparation of salts of the aminomalonic ester HUELS CHEMISCHE WERKE AG (DE) 1999-07-28 EP disclosed
US-5847197-A Process for the preparation of aminomalonic acid ester salts HUELS AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
EP-0811602-A1 Process for the preparation of salts of the aminomalonic ester HÜLS AKTIENGESELLSCHAFT (DE) 1997-12-10 EP disclosed
US-5292937-A Use of malonic acid derivative compounds for retarding plant growth RHONE-POULENC INC. (US) 1994-03-08 US disclosed
US-5123951-A Ethylene response inducing agent and malonic acid derivative RHONE-POULENC NEDERLAND B.V. (NL) 1992-06-23 US disclosed