SCHEMBL8305675

SCHEMBL8305675

COC(=O)C(C(=O)OC)c1ccccc1COc1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
RECQL P46063 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NOTUM Q6P988 1/20 0.43
POLB P06746 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
SLC1A5 Q15758 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
SCHEMBL9051241 0.89 RXRA (0.46) TDP1RXRARXRBRXRGNPSR1
SCHEMBL15375470 0.88 RXRA (0.45) TDP1RXRARXRBRXRGNPSR1
SCHEMBL8014177 0.86 RXRA (0.51) TDP1RXRARXRBRXRGNPSR1
SCHEMBL15375537 0.82 TDP1 (0.52) TDP1RXRARXRBRXRGNPSR1
SCHEMBL8897564 0.80 FABP4 (0.61) TDP1RXRARXRBRXRGNPSR1
SCHEMBL2236821 0.79 FABP4 (0.46) TDP1RXRARXRBRXRGNPSR1
SCHEMBL15375447 0.79 FABP4 (0.57) TDP1RXRARXRBRXRGNPSR1
SCHEMBL15402252 0.78 ALDH1A1 (0.47) RXRARXRBRXRGNPSR1ALDH1A1
SCHEMBL1539411 0.78 CDK4 (0.42) TDP1RXRARXRBRXRGRECQL
SCHEMBL15375521 0.78 RXRA (0.46) TDP1RXRARXRBRXRGNPSR1

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
EP-0729461-B1 FUNGICIDAL CYCLIC AMIDES DU PONT (US) 1999-11-24 EP disclosed