SCHEMBL6013491

SCHEMBL6013491

COc1ccc(C(O[P@@](OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.36
KIF11 P52732 10/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.33
NR1H2 P55055 1/20 0.32
SLC6A1 P30531 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
SCHEMBL13930001 0.90 SLC6A11 (0.36) PBRM1KIF11KCNH2ALDH1A1GAA
SCHEMBL887512 0.90 SLC6A1 (0.34) PBRM1KIF11KCNH2ALDH1A1GAA
SCHEMBL31097868 0.90 SLC6A1 (0.34) PBRM1KIF11KCNH2ALDH1A1GAA
SCHEMBL8742280 0.90 SLC6A1 (0.34) PBRM1KIF11KCNH2ALDH1A1GAA
SCHEMBL10159580 0.89 PBRM1 (0.34) PBRM1KIF11KCNH2ALDH1A1GAA
SCHEMBL2472575 0.88 SLC6A11 (0.35) PBRM1KIF11KCNH2ALDH1A1GAA
SCHEMBL2820572 0.87 SLC6A1 (0.34) PBRM1KIF11KCNH2ALDH1A1GAA
SCHEMBL25764740 0.87 SLC6A1 (0.34) PBRM1KIF11KCNH2ALDH1A1GAA
SCHEMBL16329608 0.87 SLC6A1 (0.34) PBRM1KIF11KCNH2ALDH1A1GAA
SCHEMBL27050962 0.87 SLC6A1 (0.34) PBRM1KIF11KCNH2ALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499889-A4 NANOPARTICLE PROBES WITH RAMAN SPECTROSCOPIC FINGERPRINTS FOR ANALYTE DETECTION UNIV NORTHWESTERN (US) 2006-11-08 EP disclosed
EP-1499889-A2 NANOPARTICLE PROBES WITH RAMAN SPECTROSCOPIC FINGERPRINTS FOR ANALYTE DETECTION NORTHWESTERN UNIVERSITY (US) 2005-01-26 EP disclosed
WO-2003095973-A2 NANOPARTICLE PROBES WITH RAMAN SPECTROSCOPIC FINGERPRINTS FOR ANALYTE DETECTION NORTHWESTERN UNIVERSITY (US) 2003-11-20 WO disclosed