SCHEMBL13258583

SCHEMBL13258583

CC(Oc1ccccc1CN[C@H](CO)Cc1ccccc1)[C@@H](CO)NCc1ccccc1OC(C)[C@@H](CO)NCc1ccccc1OC(C)[C@@H](CO)NCc1ccccc1O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ ITGA4 P13612 1/20 0.40
▸ ITGB7 P26010 1/20 0.40
▸ CYP3A4 P08684 1/20 0.38
▸ PKM P14618 1/20 0.36
▸ BCHE P06276 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MPO P05164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL13243077 1.00 MAPK1 (0.51) MAPK1POLBITGA4ITGB7CYP3A4
SCHEMBL13243078 0.87 POLB (0.39) MAPK1POLBMEN1KMT2AMPO
SCHEMBL13243080 0.85 POLB (0.43) MAPK1POLBMEN1KMT2AMPO
SCHEMBL11977390 0.82 MAPK1 (0.63) MAPK1POLBCYP3A4PKMLMNA
SCHEMBL13243079 0.80 POLB (0.39) MAPK1POLBITGA4ITGB7MEN1
SCHEMBL11977393 0.71 POLB (0.54) MAPK1POLBMEN1KMT2AMPO
SCHEMBL11977391 0.70 MAPK1 (0.48) MAPK1POLBITGA4ITGB7CYP3A4
SCHEMBL11984339 0.70 LMNA (0.49) MAPK1POLBITGA4ITGB7LMNA
SCHEMBL14291193 0.69 POLB (0.60) MAPK1POLBPKMMPO
SCHEMBL10962869 0.69 MPO (0.54) MAPK1POLBCYP3A4PKMMEN1

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
WO-2010093327-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-08-19 — — WO disclosed
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