SCHEMBL10280889

SCHEMBL10280889

C=COc1cccc(OC(C)C)c1-c1ccccc1P(=O)(OCC)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CCNT1 O60563 3/20 0.34
CDK9 P50750 3/20 0.34
ALDH1A1 P00352 4/20 0.33
POLB P06746 2/20 0.32
GPR84 Q9NQS5 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 3/20 0.30
TDP1 Q9NUW8 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL364797 0.92 MEN1 (0.45) MEN1KMT2ACA1CA2CA7
SCHEMBL366946 0.77 MEN1 (0.48) MEN1KMT2ACA1CA2CA7
SCHEMBL20862871 0.76 CA1 (0.44) MEN1KMT2ACA1CA2CA7
SCHEMBL10227457 0.73 CA1 (0.41) MEN1KMT2ACA1CA2CA7
SCHEMBL28883279 0.73 CA1 (0.50) CA1CA2CA7CA9ALDH1A1
SCHEMBL10177309 0.70 MEN1 (0.44) MEN1KMT2ACCNT1CDK9ALDH1A1
SCHEMBL19643364 0.69 NPSR1 (0.40) MEN1KMT2ACA1CA2CA7
SCHEMBL10280962 0.68 MEN1 (0.35) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL365135 0.68 MEN1 (0.50) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL366679 0.68 MEN1 (0.41) MEN1KMT2AALDH1A1POLBLMNA

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-2012009698-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-19 WO disclosed