SCHEMBL10494147

SCHEMBL10494147

CCOC(=O)CC[C@@H](NC(=O)c1ccc(C(C)CC2CNc3nc(NC(C)=O)nc(O)c3C2)cc1)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GART P22102 5/20 0.38
DHFR P00374 3/20 0.36
ATIC P31939 1/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL10494144 1.00 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL9534079 0.88 GART (0.49) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL9534086 0.88 GART (0.49) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL9535283 0.84 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL9535276 0.84 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL10479164 0.84 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL10479162 0.84 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL10404862 0.83 GART (0.46) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL10404860 0.83 GART (0.46) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL9050424 0.80 GART (0.48) KDM4EALDH1A1HPGDHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4684653-A ANTITUMOR AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1987-08-04 US claimed
US-4845216-A ANTITUMOR AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-07-04 US disclosed
US-4684653-A ANTITUMOR AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1987-08-04 US disclosed