SCHEMBL8553796

SCHEMBL8553796

COc1c(Cl)cccc1-c1oc(Cc2ccccc2)nc1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.38
RXRA P19793 4/20 0.37
RXRB P28702 3/20 0.37
RXRG P48443 1/20 0.37
NR4A1 P22736 1/20 0.36
NR4A3 Q92570 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
FAAH O00519 1/20 0.32
FBP1 P09467 1/20 0.32
PTGS2 P35354 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31

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
SCHEMBL8555989 0.96 NR4A2 (0.38) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL8559484 0.88 CA12 (0.37) RXRARXRBMAPTALDH1A1LMNA
SCHEMBL8559346 0.88 NR4A2 (0.48) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL8555918 0.87 RXRA (0.38) NR4A2RXRARXRBRXRGMAPT
SCHEMBL8555541 0.87 NR4A2 (0.39) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL8555338 0.87 RXRA (0.38) NR4A2RXRARXRBRXRGMAPT
SCHEMBL7505716 0.87 NR4A2 (0.43) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL8560396 0.86 NR4A2 (0.40) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL8558990 0.85 NR4A2 (0.39) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL8557401 0.85 NR4A2 (0.46) NR4A2RXRARXRBRXRGNR4A1

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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed