SCHEMBL7422197

SCHEMBL7422197

CC(C)C(N)P(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.50
LAP3 P28838 2/20 0.50
SRC P12931 1/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
ELANE P08246 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PLAU P00749 1/20 0.42
POLB P06746 1/20 0.42
DPP4 P27487 1/20 0.41

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
SCHEMBL7623135 0.84 ANPEP (0.53) ANPEPLAP3SRCNPSR1MEN1
SCHEMBL1727266 0.79 SRC (0.52) ANPEPLAP3SRCNPSR1MEN1
SCHEMBL13783568 0.78 ELANE (0.56) ANPEPLAP3SRCNPSR1MEN1
SCHEMBL5958828 0.78 SRC (0.50) ANPEPLAP3SRCNPSR1MEN1
SCHEMBL7417923 0.77 ANPEP (0.71) ANPEPLAP3SRCNPSR1MEN1
SCHEMBL11281739 0.76 SRC (0.54) ANPEPLAP3SRCNPSR1MEN1
SCHEMBL28659355 0.76 ANPEP (0.53) ANPEPLAP3SRCNPSR1MEN1
SCHEMBL10832523 0.75 SRC (0.58) ANPEPLAP3SRCNPSR1MEN1
SCHEMBL131325 0.74 NPSR1 (0.50) ANPEPLAP3SRCNPSR1MEN1
Phenyl Dihydrogen Phosphate SCHEMBL11234180 0.74 SRC (0.76) ANPEPLAP3SRCTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340820-B2 Compounds and methods for protease detection QUEEN'S UNIVERSITY OF BELFAST (GB) 2016-05-17 US disclosed
US-5686419-A SERINE PROTEASE INHIBITOR ANTICOAGULANTS GEORGIA TECH RESEARCH CORP. (US) 1997-11-11 US disclosed
US-5543396-A Proline phosphonate derivatives GEORGIA TECH RESEARCH CORP. (US) 1996-08-06 US disclosed
WO-1995029691-A1 PROLINE PHOSPHONATE DERIVATIVES GEORGIA TECH RESEARCH CORPORATION (US) 1995-11-09 WO disclosed