SCHEMBL9150827

SCHEMBL9150827

Clc1ccc(-c2nc(CCCCCBr)oc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.55
RXRB P28702 14/20 0.55
RXRG P48443 12/20 0.55
SIRT2 Q8IXJ6 2/20 0.52
NR4A2 P43354 5/20 0.49
AOC3 Q16853 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGS1 P23219 2/20 0.44
EPHX2 P34913 2/20 0.44
PTGS2 P35354 2/20 0.44
ABCC4 O15439 1/20 0.43
C5 P01031 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43

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
SCHEMBL8113859 0.85 NR4A2 (0.66) RXRARXRBRXRGNR4A2AOC3
SCHEMBL9149302 0.82 RXRA (0.52) RXRARXRBRXRGNR4A2AOC3
SCHEMBL9148476 0.82 RXRA (0.52) RXRARXRBRXRGNR4A2AOC3
SCHEMBL9147494 0.82 SIRT2 (0.55) RXRARXRBRXRGSIRT2NR4A2
SCHEMBL13733310 0.79 SIRT2 (0.55) RXRARXRBRXRGSIRT2NR4A2
SCHEMBL4327894 0.78 RXRA (0.83) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL9152446 0.78 RXRA (0.48) RXRARXRBRXRGNR4A2AOC3
SCHEMBL9146825 0.78 RXRA (0.48) RXRARXRBRXRGNR4A2AOC3
SCHEMBL9147515 0.77 RXRA (0.47) RXRARXRBRXRGNR4A2AOC3
SCHEMBL9147525 0.77 RXRA (0.47) RXRARXRBRXRGNR4A2AOC3

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