SCHEMBL7141884

SCHEMBL7141884

Cc1ccccc1CCNC(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
PGR P06401 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
HPGD P15428 4/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
ALOX12 P18054 1/20 0.41
HTT P42858 2/20 0.41
CTBP2 P56545 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL7144643 0.83 KDM4E (0.60) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL7139605 0.83 KDM4E (0.60) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL6239035 0.83 KDM4E (0.60) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL2398120 0.80 KMT2A (0.66) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL2398115 0.80 KMT2A (0.66) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL21345586 0.79 TAAR1 (0.50) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL10348018 0.78 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1HPGDLMNA
SCHEMBL18997892 0.77 KMT2A (0.57) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL5285749 0.74 ALDH1A1 (0.49) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL5966846 0.74 ALDH1A1 (0.49) KDM4EALDH1A1KMT2AMEN1HPGD

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-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
EP-1098871-A1 $g(a)-AMINO ACID PHENYL ESTER DERIVATIVES Akzo Nobel N.V. (NL) 2001-05-16 EP disclosed
WO-2000005196-A1 α-AMINO ACID PHENYL ESTER DERIVATIVES AKZO NOBEL N.V. (NL) 2000-02-03 WO disclosed