SCHEMBL5595623

SCHEMBL5595623

CCCCC[C@@H](C)N(C)CCC(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.41
POLA1 P09884 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TSHR P16473 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL27487019 1.00 KDM5A (0.49) KDM5AMEN1KMT2ALMNAPOLB
SCHEMBL5595378 0.85 FFAR4 (0.49) MEN1KMT2ATSHRPPARG
SCHEMBL5595390 0.85 FFAR4 (0.49) MEN1KMT2ATSHRPPARG
Hydrochloric Acid SCHEMBL5595261 0.83 FFAR4 (0.47) KDM5AMEN1KMT2ATSHRPPARG
Hydrochloric Acid SCHEMBL5595256 0.83 FFAR4 (0.47) KDM5AMEN1KMT2ATSHRPPARG
SCHEMBL11867096 0.83 FFAR4 (0.51) KDM5AMEN1KMT2ATSHRPPARG
SCHEMBL27569414 0.83 ZDHHC7 (0.46) MEN1KMT2ALMNAPOLBPOLA1
SCHEMBL28740791 0.83 ZDHHC7 (0.46) MEN1KMT2ALMNAPOLBPOLA1
SCHEMBL27000066 0.79 FAAH (0.41) MEN1KMT2A
SCHEMBL27000073 0.79 CHRNB2 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064254-B1 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS UNIV SASKATCHEWAN (CA) 2007-10-17 EP claimed
CN-1299342-A Aliphatic amino carboxylic and aminophosphonic acids, amino nitriles and amino tetrazoles as cell rescue agents UNIV OF SASKATCHEWAN TECHNOLOG (CA) 2001-06-13 CN claimed
CN-1213999-C Aliphatic amino carboxylic and aminophosphonic acids, amino nitriles and amino tetrazoles as cell rescue agents UNIV OF SASKATCHEWAN TECHNOLOG (CA) 2005-08-10 CN disclosed
CN-1299342-A Aliphatic amino carboxylic and aminophosphonic acids, amino nitriles and amino tetrazoles as cell rescue agents UNIV OF SASKATCHEWAN TECHNOLOG (CA) 2001-06-13 CN disclosed