SCHEMBL7416822

SCHEMBL7416822

CCOC(=O)c1cc[nH]c(=O)c1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
HPGD P15428 1/20 0.51
NUDT1 P36639 1/20 0.49
MEN1 O00255 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
CLEC4M Q9H2X3 1/20 0.42
HSD17B10 Q99714 1/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 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
SCHEMBL26619266 0.87 KDM4E (0.47) KMT2AALDH1A1KDM4EHPGDMEN1
SCHEMBL6219929 0.81 ALDH1A1 (0.56) KMT2AALDH1A1KDM4EHPGDNUDT1
SCHEMBL14829330 0.80 ALDH1A1 (0.52) KMT2AALDH1A1KDM4EHPGDNUDT1
SCHEMBL754622 0.80 ALDH1A1 (0.55) KMT2AALDH1A1KDM4EHPGDNUDT1
SCHEMBL23674982 0.78 ALDH1A1 (0.53) KMT2AALDH1A1KDM4EHPGDNUDT1
SCHEMBL16386608 0.78 ALDH1A1 (0.57) KMT2AALDH1A1KDM4EHPGDNUDT1
SCHEMBL2222793 0.77 CA12 (0.42) KMT2AALDH1A1KDM4EHPGDMEN1
SCHEMBL11296630 0.76 TSHR (0.63) KMT2AALDH1A1KDM4EHPGDMEN1
SCHEMBL1156163 0.75 KMT2A (0.58) KMT2AALDH1A1KDM4EHPGDNUDT1
SCHEMBL25068659 0.75 KDM4E (0.47) KMT2AALDH1A1KDM4EHPGDNUDT1

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-0649432-B1 FLUORINE COMPRISING DIPEPTIDES AS INHIBITORS AGAINST HUMAN LEUCOCYTE ELASTASE INHIBITORS ZENECA LTD (GB) 1998-09-16 EP disclosed
US-5532366-A Heterocyclic amides ZENECA LIMITED (GB) 1996-07-02 US disclosed
EP-0649432-A1 FLUORINE COMPRISING DIPEPTIDES AS INHIBITORS AGAINST HUMAN LEUCOCYTE ELASTASE INHIBITORS ZENECA LIMITED (GB) 1995-04-26 EP disclosed
WO-1994001455-A1 FLUORINE COMPRISING DIPEPTIDES AS INHIBITORS AGAINST HUMAN LEUCOCYTE ELASTASE INHIBITORS ZENECA LIMITED (GB) 1994-01-20 WO disclosed