SCHEMBL5703237

SCHEMBL5703237

O=COc1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP19A1 P11511 2/20 0.33
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 3/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPK1 P28482 1/20 0.30
KIF11 P52732 1/20 0.30
KCNH2 Q12809 1/20 0.30
LMNA P02545 3/20 0.30
CBFB Q13951 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL13447587 0.81 SMN1; SMN2 (0.49) TDP1SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL7779084 0.79 TSHR (0.39) TSHR
SCHEMBL13221992 0.77 ESR1 (0.44) CYP1A2MAPTTDP1L3MBTL1ALDH1A1
Formic Acid Phenyl Ester SCHEMBL2662 0.76
SCHEMBL21118545 0.75 LTA4H (0.55) TSHRMEN1KMT2A
SCHEMBL15628358 0.75 KIF11 (0.43) CYP1A2MAPTSMN1; SMN2ALDH1A1KIF11
Formic Acid Phenyl Ester SCHEMBL11036284 0.74 TSHR (0.39) TSHRTDP1L3MBTL1ALDH1A1GAA
SCHEMBL5703232 0.74 TSHR (0.35) TSHRCYP1A2GAALMNAKMT2A
SCHEMBL21538651 0.74 ESR1 (0.42) MAPTTDP1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9887145 0.74 ESR1 (0.65) TSHRCYP1A2MAPTTDP1L3MBTL1

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
EP-1687609-A2 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND Epoch Biosciences, Inc. (US) 2006-08-09 EP disclosed
WO-2005043127-A2 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND EPOCH BIOSCIENCES, INC. (US) 2005-05-12 WO disclosed