SCHEMBL6814873

SCHEMBL6814873

CCCCOc1ccc(OCc2ccoc2C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.65
ESR1 P03372 1/20 0.65
POLB P06746 1/20 0.65
APEX1 P27695 1/20 0.65
MAPK1 P28482 1/20 0.65
ESR2 Q92731 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
TSHR P16473 1/20 0.50
PLA2G4B P0C869 7/20 0.49
RARB P10826 4/20 0.47
PLA2G4A P47712 1/20 0.45
BRD4 O60885 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3944688 0.85 TDP1 (0.53) TP53ESR1POLBAPEX1MAPK1
SCHEMBL6816018 0.83 TP53 (0.65) TP53ESR1POLBAPEX1MAPK1
SCHEMBL15330025 0.83 L3MBTL1 (0.65) TP53ESR1POLBAPEX1MAPK1
SCHEMBL11281072 0.80 TP53 (0.61) TP53ESR1POLBAPEX1MAPK1
SCHEMBL10446580 0.80 TDP1 (0.48) TP53ESR1POLBAPEX1MAPK1
SCHEMBL11525137 0.78 TDP1 (0.46) TP53ESR1POLBAPEX1MAPK1
SCHEMBL3945219 0.75 TDP1 (0.55) TP53ESR1POLBAPEX1MAPK1
SCHEMBL6815499 0.75 POLB (0.55) TP53ESR1POLBAPEX1MAPK1
SCHEMBL30117303 0.74 TDP1 (0.56) TP53ESR1POLBAPEX1MAPK1
SCHEMBL898043 0.74 TDP1 (0.42) TP53ESR1POLBAPEX1MAPK1

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
WO-2004012656-A2 THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-02-12 WO claimed