SCHEMBL7099998

SCHEMBL7099998

CCOP(=O)(CCC1Cc2ccccc2C(=O)N1)OCC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.35
DYRK1A Q13627 1/20 0.34
ACHE P22303 1/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 1/20 0.34
PARP1 P09874 1/20 0.33
METAP1 P53582 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL10050308 0.77 TSHR (0.55) TSHRNPSR1ACHEPARP1METAP1
SCHEMBL8966129 0.76 TSHR (0.62) TSHRNPSR1DYRK1AACHEPARP1
SCHEMBL4552573 0.76 TSHR (0.54) TSHRNPSR1ACHEPARP1METAP1
SCHEMBL7097158 0.73 RNASEH1 (0.34) GAA
SCHEMBL5037320 0.70 TSHR (0.57) TSHRNPSR1DYRK1AACHEPARP1
SCHEMBL3921668 0.70 TSHR (0.57) TSHRNPSR1DYRK1AACHEPARP1
SCHEMBL3926777 0.70 TSHR (0.57) TSHRNPSR1DYRK1AACHEPARP1
SCHEMBL7099999 0.70 TSHR (0.57) TSHRNPSR1DYRK1AACHEPARP1
SCHEMBL3921663 0.70 TSHR (0.57) TSHRNPSR1DYRK1AACHEPARP1
SCHEMBL3926780 0.70 TSHR (0.57) TSHRNPSR1DYRK1AACHEPARP1

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-1140952-B1 ORGANO-PHOSPHORUS COMPOUNDS AND THEIR UTILIZATION BIOAGENCY AG (DE) 2003-09-03 EP disclosed
EP-1140952-A1 ORGANO-PHOSPHORUS COMPOUNDS AND THEIR UTILIZATION Jomaa Pharmaka GmbH (DE) 2001-10-10 EP disclosed
WO-2000037477-A1 ORGANO-PHOSPHORUS COMPOUNDS AND THEIR UTILIZATION JOMAA PHARMAKA GMBH (DE) 2000-06-29 WO disclosed