SCHEMBL9556359

SCHEMBL9556359

CCOC(=O)CC[C@H](NC(=O)c1ccc(NCC(=O)OCC)cc1)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KMT2A Q03164 2/20 0.51
POLB P06746 2/20 0.51
DHFR P00374 3/20 0.45
CYP26A1 O43174 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL10828953 1.00 L3MBTL1 (0.56) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9555837 0.91 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9555839 0.91 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27584197 0.90 L3MBTL1 (0.65) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10829643 0.89 L3MBTL1 (0.50) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10829650 0.89 L3MBTL1 (0.50) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9817714 0.88 L3MBTL1 (0.54) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10829010 0.88 L3MBTL1 (0.54) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6648896 0.88 L3MBTL1 (0.58) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9555800 0.88 L3MBTL1 (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5187167-A Antitumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 US disclosed
US-4564616-A Anti-cancer quinazoline derivatives NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-01-14 US disclosed
US-4447608-A ANTITUMOR AGENTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-05-08 US disclosed
EP-0031237-A1 Quinazoline derivatives, processes for their preparation, compositions containing them and their use as anti-cancer agents NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1981-07-01 EP disclosed