SCHEMBL7950003

SCHEMBL7950003

CCOC(=O)CC[C@H](NC(=O)c1ccc(C=CC(=O)Oc2ccc(C(=N)N)cc2)cc1)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
DHFR P00374 3/20 0.40
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
KLK1 P06870 1/20 0.39
F10 P00742 1/20 0.39
TMPRSS15 P98073 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL7950119 0.85 F2 (0.47) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7186155 0.82 PRSS1 (0.44) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7186153 0.82 PRSS1 (0.44) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27584197 0.79 L3MBTL1 (0.65) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10965936 0.77 L3MBTL1 (0.58) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7185849 0.76 KMT2A (0.49) L3MBTL1KDM4EALDH1A1HPGDKMT2A
SCHEMBL7185839 0.76 KMT2A (0.49) L3MBTL1KDM4EALDH1A1HPGDKMT2A
SCHEMBL7179292 0.76 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8320541 0.76 L3MBTL1 (0.59) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1143549 0.76 L3MBTL1 (0.59) L3MBTL1KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262114-B1 NOVEL AMIDINOPHENOL DERIVATIVES; INHIBITORS OF PHOSPHOLIPASE A2 AND/OR TRYPSIN ONO PHARMACEUTICAL CO., LTD. (JP) 2001-07-17 US claimed