SCHEMBL8923129

SCHEMBL8923129

CCOP(=O)(CC)OC(c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 1/20 0.44
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
FPR2 P25090 5/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.38
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL4824917 0.83 POLB (0.51) GAAKMT2AMEN1NPSR1TSHR
SCHEMBL8723616 0.83 TSHR (0.42) GAAKMT2AMEN1TSHRCA12
SCHEMBL4586654 0.75 TSHR (0.54) GAAKMT2AMEN1NPSR1TSHR
SCHEMBL4262591 0.73 KMT2A (0.55) GAAKMT2AMEN1NPSR1CA12
SCHEMBL5754677 0.73 KMT2A (0.55) GAAKMT2AMEN1NPSR1CA12
SCHEMBL8718625 0.72 L3MBTL1 (0.42) TSHR
SCHEMBL675546 0.70 KMT2A (0.42) GAAKMT2AMEN1NPSR1TSHR
SCHEMBL29449956 0.70 GAA (0.45) GAAKMT2AMEN1NPSR1TSHR
SCHEMBL24658682 0.70 KMT2A (0.52) GAAKMT2AMEN1NPSR1CA12
SCHEMBL30901404 0.70 KMT2A (0.52) GAAKMT2AMEN1NPSR1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9003079-A None JP disclosed
JP-H093079-A NEW PHOSPHONIC ESTER COMPOUND, ITS PRODUCTION AND STILBENE COMPOSITION RICOH CO LTD 1997-01-07 JP disclosed