SCHEMBL7145075

SCHEMBL7145075

CCC(C(=O)O)N(CCC(=O)OC)CCC(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TSHR P16473 3/20 0.43
SLC1A1 P43005 1/20 0.41
KDM5A P29375 2/20 0.36
CA12 O43570 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
NOD1 Q9Y239 2/20 0.32
GABRA1 P14867 1/20 0.32

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
SCHEMBL8662136 0.95 MEN1 (0.43) KMT2AMEN1TSHRSLC1A1KDM5A
SCHEMBL20814001 0.84 KMT2A (0.46) KMT2AMEN1TSHRSLC1A1KDM5A
SCHEMBL8816379 0.83 MEN1 (0.42) KMT2AMEN1TSHRSLC1A1KDM5A
SCHEMBL12563519 0.82 MEN1 (0.41) KMT2AMEN1TSHRSLC1A1KDM5A
SCHEMBL12563524 0.82 MEN1 (0.41) KMT2AMEN1TSHRSLC1A1KDM5A
SCHEMBL8660845 0.81 KMT2A (0.43) KMT2AMEN1TSHRSLC1A1KDM5A
SCHEMBL20814075 0.77 MEN1 (0.40) KMT2AMEN1TSHRSLC1A1KDM5A
SCHEMBL7136332 0.77 GABRA1 (0.49) HPGDALDH1A1GABRA1GABRG2GABRB3
SCHEMBL7140859 0.77 GABRA1 (0.49) HPGDALDH1A1GABRA1GABRG2GABRB3
SCHEMBL17232315 0.74 KMT2A (0.56) KMT2AMEN1TSHRSLC1A1KDM5A

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