SCHEMBL6087524

SCHEMBL6087524

O=C[C@H](OCCCl)[C@@H](O)[C@@H](O)CO

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
AKR1B1 P15121 1/20 0.32
PDE4A P27815 1/20 0.31

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
SCHEMBL21552476 0.95 LMNA (0.39) LMNAL3MBTL1TDP1AKR1B1PDE4A
SCHEMBL2559273 0.85 LMNA (0.39) LMNAL3MBTL1TDP1AKR1B1PDE4A
SCHEMBL234252 0.81 LMNA (0.36) LMNAL3MBTL1TDP1AKR1B1PDE4A
SCHEMBL4338288 0.81 LMNA (0.36) LMNAL3MBTL1TDP1AKR1B1PDE4A
SCHEMBL2558960 0.81 LMNA (0.36) LMNAL3MBTL1TDP1AKR1B1PDE4A
SCHEMBL3127123 0.80 LMNA (0.42) LMNAL3MBTL1TDP1AKR1B1PDE4A
SCHEMBL5496627 0.80 LMNA (0.42) LMNAL3MBTL1TDP1AKR1B1PDE4A
SCHEMBL3651875 0.80 LMNA (0.42) LMNAL3MBTL1TDP1AKR1B1PDE4A
SCHEMBL183848 0.80 LMNA (0.34) LMNAL3MBTL1TDP1AKR1B1PDE4A
SCHEMBL9476977 0.79 LMNA (0.42) LMNAL3MBTL1TDP1AKR1B1PDE4A

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-6987092-B1 cell membrane penetrating, oxygen-substituted indirubin-3'-monooximes; improved water solubility; anticarcinogenic, antitumor agents for solid cancers FAUSTUS FORSCHUNGS CIE. TRANSLATIONAL CANCER RESEARCH GMBH (DE) 2006-01-17 US disclosed
CN-1355789-A Indigoid bisindole derivatives GERHARD EISENBRAND (DE) 2002-06-26 CN disclosed
EP-1169305-A1 INDIGOID BISINDOLE DERIVATIVES Eisenbrand, Gerhard, Prof. Dr. (DE) 2002-01-09 EP disclosed
WO-2000061555-A1 INDIGOID BISINDOLE DERIVATIVES EISENBRAND GERHARD (DE) 2000-10-19 WO disclosed