SCHEMBL7140934

SCHEMBL7140934

CCC(NCc1ccccc1C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.51
PPARG P37231 1/20 0.50
HTT P42858 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
EPHX2 P34913 1/20 0.42
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
MAPT P10636 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
SCHEMBL7398851 0.88 KDM4E (0.51) KDM4EHPGDALDH1A1PPARGHTT
SCHEMBL3039556 0.84 KDM4E (0.55) KDM4EHPGDALDH1A1HTTGAA
Hydrochloric Acid SCHEMBL3046433 0.83 KDM4E (0.53) KDM4EHPGDALDH1A1HTTGAA
SCHEMBL19437117 0.83 RIPK1 (0.49) KDM4EHPGDALDH1A1KMT2ALMNA
SCHEMBL6325943 0.83 ALDH1A1 (0.57) ALDH1A1HTTKMT2ALMNAPOLB
SCHEMBL6136600 0.81 POLB (0.50) HPGDALDH1A1PPARGKMT2APOLB
SCHEMBL2249746 0.81 KDM4E (0.48) KDM4EHPGDALDH1A1HTTGAA
SCHEMBL7139605 0.80 KDM4E (0.60) KDM4EHPGDALDH1A1PPARGHTT
SCHEMBL6239035 0.80 KDM4E (0.60) KDM4EHPGDALDH1A1PPARGHTT
SCHEMBL7144643 0.80 KDM4E (0.60) KDM4EHPGDALDH1A1PPARGHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098871-B1 alpha-AMINO ACID PHENYL ESTER DERIVATIVES AKZO NOBEL NV (NL) 2003-07-09 EP disclosed
US-6451854-B1 α-amino acid phenyl ester derivatives AKZO NOBEL N.V. (NL) 2002-09-17 US disclosed