SCHEMBL8555499

SCHEMBL8555499

Cc1cccc(-c2nc(Cc3ccccc3)oc2-c2ccccc2S(N)(=O)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.49
RXRB P28702 7/20 0.49
RXRG P48443 4/20 0.49
NR4A2 P43354 4/20 0.49
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL8560137 0.92 RXRA (0.49) RXRARXRBRXRGNR4A2RAB9A
SCHEMBL8560360 0.92 RXRA (0.44) RXRARXRBRXRGNR4A2RAB9A
SCHEMBL8556768 0.89 NR4A2 (0.45) RXRARXRBRXRGNR4A2MAPK1
SCHEMBL8560532 0.88 RXRA (0.46) RXRARXRBRXRGNR4A2CA1
SCHEMBL8561401 0.88 MAOB (0.41) RXRARXRBRXRGNR4A2RAB9A
SCHEMBL8556529 0.88 RXRA (0.40) RXRARXRBRXRGNR4A2F10
SCHEMBL8555143 0.88 RXRA (0.49) RXRARXRBRXRGNR4A2RAB9A
SCHEMBL8556294 0.87 RXRA (0.49) RXRARXRBRAB9ANPC1SMN1; SMN2
SCHEMBL8554839 0.85 RXRA (0.38) RXRARXRBRXRGNR4A2RAB9A
SCHEMBL8556756 0.85 NPC1 (0.39) RXRARXRBRXRGNR4A2RAB9A

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