SCHEMBL7144630

SCHEMBL7144630

COCCN(CCOC)C(CC(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
RNPEP Q9H4A4 1/20 0.36
SLC7A5 Q01650 1/20 0.36
MME P08473 1/20 0.35
CPA1 P15085 1/20 0.34
LAP3 P28838 4/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
ANPEP P15144 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7137112 0.84 PIK3CD (0.41) PIK3CDRNPEPSLC7A5MMECPA1
SCHEMBL5718288 0.82 GABRA1 (0.40) PIK3CDGABRA1GABRG2GABRB3ALDH1A1
SCHEMBL5718295 0.81 GABRA1 (0.39) PIK3CDGABRA1GABRG2GABRB3ALDH1A1
SCHEMBL7140859 0.81 GABRA1 (0.49) PIK3CDGABRA1GABRG2GABRB3ALDH1A1
SCHEMBL7136332 0.81 GABRA1 (0.49) PIK3CDGABRA1GABRG2GABRB3ALDH1A1
SCHEMBL7041880 0.79 SLC1A3 (0.41) RNPEPSLC7A5CPA1MAPTALDH1A1
SCHEMBL7041883 0.79 SLC1A3 (0.41) RNPEPSLC7A5CPA1MAPTALDH1A1
SCHEMBL7140882 0.78 CHRM1 (0.43) PIK3CDGABRA1GABRG2GABRB3ALDH1A1
SCHEMBL7144010 0.78 CHRM1 (0.43) PIK3CDGABRA1GABRG2GABRB3ALDH1A1
Hydrochloric Acid SCHEMBL7431962 0.76 CHRM1 (0.42) GABRA1GABRG2GABRB3SLC1A3SLC1A2

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