SCHEMBL18831779

SCHEMBL18831779

CC(C)OC(O)C(C)NP(=O)(Cl)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.40
LAP3 P28838 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SRC P12931 1/20 0.39
KDM4E B2RXH2 1/20 0.35
ELANE P08246 1/20 0.34
BTN3A1 O00481 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 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
SCHEMBL21344083 0.84 ANPEP (0.44) ANPEPLAP3MEN1KMT2ANPSR1
SCHEMBL24239474 0.83 ANPEP (0.39) ANPEPLAP3MEN1KMT2ANPSR1
SCHEMBL23542051 0.83 ANPEP (0.40) ANPEPLAP3MEN1KMT2ANPSR1
SCHEMBL23044635 0.82 MEN1 (0.43) ANPEPLAP3MEN1KMT2ANPSR1
SCHEMBL23044634 0.82 MEN1 (0.43) ANPEPLAP3MEN1KMT2ANPSR1
SCHEMBL20110437 0.82 MEN1 (0.45) ANPEPLAP3MEN1KMT2ANPSR1
SCHEMBL20110445 0.82 MEN1 (0.45) ANPEPLAP3MEN1KMT2ANPSR1
SCHEMBL13921741 0.78 MEN1 (0.47) ANPEPLAP3MEN1KMT2ANPSR1
SCHEMBL18892876 0.78 MEN1 (0.41) ANPEPLAP3MEN1KMT2ANPSR1
SCHEMBL20773105 0.76 ANPEP (0.44) ANPEPLAP3MEN1KMT2ANPSR1

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
EP-3150616-B1 MIXTURE OF RP/SP GEMCITABINE-[PHENYL-(BENZYLOXY-L-ALANINYL)]-PHOSPHATE UNIV COLLEGE CARDIFF CONSULTANTS LTD (GB) 2017-05-10 EP disclosed