SCHEMBL9540673

SCHEMBL9540673

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HSD17B10 Q99714 1/20 0.59
KMT2A Q03164 3/20 0.55
POLB P06746 1/20 0.55
DHFR P00374 3/20 0.47
CYP26A1 O43174 1/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
MAPT P10636 1/20 0.40
P2RY12 Q9H244 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
SCHEMBL9540678 1.00 L3MBTL1 (0.59) L3MBTL1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL27584197 0.93 L3MBTL1 (0.65) L3MBTL1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL16509378 0.89 L3MBTL1 (0.61) L3MBTL1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11631574 0.88 L3MBTL1 (0.67) L3MBTL1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11631569 0.88 L3MBTL1 (0.67) L3MBTL1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9383025 0.87 L3MBTL1 (0.59) L3MBTL1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9340435 0.87 L3MBTL1 (0.59) L3MBTL1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9383029 0.87 L3MBTL1 (0.59) L3MBTL1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9386872 0.87 L3MBTL1 (0.59) L3MBTL1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL28410876 0.87 L3MBTL1 (0.59) L3MBTL1ALDH1A1HPGDKDM4EHSD17B10

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
WO-1993013102-A1 DEAZAAMINOPTERINS SOUTHERN RESEARCH INSTITUTE (US) 1993-07-08 WO disclosed
US-5077404-A Cyclized 5,10-dideazaaminopterin compounds SRI INTERNATIONAL 1991-12-31 US disclosed