SCHEMBL9051241

SCHEMBL9051241

COC(=O)C(C)c1ccccc1COc1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
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
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR4 Q5NUL3 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

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
SCHEMBL8305675 0.89 TDP1 (0.47) RXRARXRBRXRGNPSR1RECQL
SCHEMBL15375470 0.88 RXRA (0.45) RXRARXRBRXRGNPSR1RECQL
SCHEMBL15614303 0.81 CDK4 (0.44) RXRARXRBRXRGTDP1ALDH1A1
SCHEMBL18539814 0.80 FABP4 (0.40) RECQLTDP1ALDH1A1L3MBTL1FFAR4
SCHEMBL15375407 0.80 FFAR4 (0.43) RXRARXRBRXRGNPSR1RECQL
SCHEMBL8014177 0.80 RXRA (0.51) RXRARXRBRXRGNPSR1RECQL
SCHEMBL15375537 0.80 TDP1 (0.52) RXRARXRBRXRGNPSR1RECQL
SCHEMBL8897564 0.80 FABP4 (0.61) RXRARXRBRXRGNPSR1RECQL
SCHEMBL15375320 0.79 RXRA (0.45) RXRARXRBRXRGRECQLTDP1
SCHEMBL2236821 0.79 FABP4 (0.46) RXRARXRBRXRGNPSR1RECQL

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-1996036229-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO disclosed