SCHEMBL8555918

SCHEMBL8555918

COc1c(Cl)cc(-c2oc(Cc3ccccc3)nc2-c2ccccc2S(N)(=O)=O)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.38
RXRB P28702 7/20 0.38
NR4A2 P43354 4/20 0.38
ALDH1A1 P00352 2/20 0.37
PTGS2 P35354 5/20 0.37
PTGS1 P23219 3/20 0.35
RXRG P48443 4/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAOB P27338 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL8558990 0.92 NR4A2 (0.39) RXRARXRBNR4A2ALDH1A1PTGS2
SCHEMBL8560188 0.89 PTGS2 (0.47) RXRARXRBNR4A2PTGS2PTGS1
SCHEMBL8553796 0.87 NR4A2 (0.38) RXRARXRBNR4A2ALDH1A1PTGS2
SCHEMBL8561649 0.87 RXRA (0.41) RXRARXRBALDH1A1RXRGMAPT
SCHEMBL8555759 0.87 PTGS2 (0.39) RXRARXRBNR4A2PTGS2PTGS1
SCHEMBL8560006 0.86 RXRA (0.48) RXRARXRBNR4A2PTGS2PTGS1
SCHEMBL8556041 0.86 RXRA (0.47) RXRARXRBNR4A2ALDH1A1RXRG
SCHEMBL8555989 0.85 NR4A2 (0.38) RXRARXRBNR4A2ALDH1A1PTGS2
SCHEMBL7499408 0.85 PTGS2 (0.47) RXRARXRBALDH1A1PTGS2PTGS1
SCHEMBL8559701 0.85 RXRA (0.39) RXRARXRBNR4A2ALDH1A1PTGS2

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