SCHEMBL13675399

SCHEMBL13675399

COC(=O)C[C@H](C)NP(=O)(Cl)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
BTN3A1 O00481 6/20 0.40
ANPEP P15144 1/20 0.40
LAP3 P28838 1/20 0.40
ELANE P08246 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNA5 P22460 1/20 0.39
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
SRC P12931 1/20 0.38
PRTN3 P24158 1/20 0.37

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
SCHEMBL14086368 0.84 LMNA (0.43) POLBBTN3A1ANPEPLAP3ELANE
SCHEMBL9608788 0.81 L3MBTL1 (0.44) ANPEPLAP3ELANEMEN1KMT2A
SCHEMBL3507156 0.79 PRTN3 (0.40) POLBBTN3A1ELANEMEN1KMT2A
SCHEMBL3507159 0.79 PRTN3 (0.40) POLBBTN3A1ELANEMEN1KMT2A
SCHEMBL23992574 0.78 BTN3A1 (0.53) BTN3A1ANPEPLAP3ELANEMEN1
SCHEMBL800889 0.78 BTN3A1 (0.53) BTN3A1ANPEPLAP3ELANEMEN1
SCHEMBL12870471 0.78 BTN3A1 (0.53) BTN3A1ANPEPLAP3ELANEMEN1
SCHEMBL25387275 0.78 BTN3A1 (0.53) BTN3A1ANPEPLAP3ELANEMEN1
SCHEMBL461026 0.78 ANPEP (0.44) BTN3A1ANPEPLAP3ELANEMEN1
SCHEMBL4971442 0.78 ANPEP (0.44) BTN3A1ANPEPLAP3ELANEMEN1

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
US-7601703-B2 Enzyme catalyzed therapeutic agents CELMED ONCOLOGY (USA), INC. (CA) 2009-10-13 US disclosed