SCHEMBL9250596

SCHEMBL9250596

O=CC(=O)Oc1ccccc1-c1ccc(CBr)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
DRD1 P21728 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FABP7 O15540 1/20 0.37
FABP3 P05413 1/20 0.37
FABP5 Q01469 1/20 0.37
SLC13A5 Q86YT5 1/20 0.36
HTT P42858 3/20 0.36

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
SCHEMBL6446385 0.83 RXRA (0.47) RXRARXRBRXRGCES2CES1
SCHEMBL7795580 0.82 PTGS2 (0.48) RXRARXRBRXRGCES2CES1
SCHEMBL8469587 0.82 RXRA (0.42) RXRARXRBRXRGDRD1CES2
SCHEMBL6950322 0.79 KDM4E (0.46) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL28731478 0.79 ALOX15 (0.42) RXRARXRBRXRGCES2CES1
SCHEMBL28731487 0.78 ALOX15 (0.44) RXRARXRBRXRGDRD1DRD2
SCHEMBL28731739 0.77 ALOX15 (0.45) RXRARXRBRXRGDRD1DRD2
SCHEMBL28731467 0.77 ALOX15 (0.46) RXRARXRBRXRGCES2CES1
SCHEMBL9571254 0.76 RXRA (0.47) RXRARXRBRXRGCES2CES1
SCHEMBL6448663 0.76 SLC13A5 (0.39) RXRARXRBRXRGDRD1CES2

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-5459148-A Cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1995-10-17 US disclosed