SCHEMBL9147494

SCHEMBL9147494

COc1ccc(-c2nc(CCCCCBr)oc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.55
RXRA P19793 6/20 0.46
RXRB P28702 6/20 0.46
NR4A2 P43354 3/20 0.46
PPARD Q03181 8/20 0.44
RXRG P48443 2/20 0.44
AOC3 Q16853 1/20 0.44
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PTGS2 P35354 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ABCC4 O15439 1/20 0.40
C5 P01031 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL9150972 0.84 RXRA (0.43) SIRT2RXRARXRBNR4A2PPARD
SCHEMBL9152238 0.84 RXRA (0.43) SIRT2RXRARXRBNR4A2PPARD
SCHEMBL14384222 0.83 PPARD (0.49) SIRT2RXRARXRBNR4A2PPARD
SCHEMBL4331461 0.83 RXRA (0.71) RXRARXRBNR4A2PPARDRXRG
SCHEMBL9150827 0.82 RXRA (0.55) SIRT2RXRARXRBNR4A2RXRG
SCHEMBL8113859 0.82 NR4A2 (0.66) RXRARXRBNR4A2RXRGAOC3
SCHEMBL4323846 0.81 RXRA (0.53) RXRARXRBNR4A2PPARDRXRG
SCHEMBL11279704 0.81 PTGS2 (0.51) RXRARXRBNR4A2PPARDRXRG
SCHEMBL9150003 0.80 RXRA (0.40) SIRT2RXRARXRBNR4A2PPARD
SCHEMBL4329469 0.80 HDAC1 (0.65) RXRARXRBNR4A2RXRGHDAC1

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
US-5403852-A Antiinflammatory agents LABORATOIRE ROGER BELLON (FR) 1995-04-04 US disclosed