SCHEMBL8554839

SCHEMBL8554839

Cc1ccc(-c2nc(Cc3ccccc3)oc2-c2ccccc2S(N)(=O)=O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.38
RXRB P28702 4/20 0.38
RXRG P48443 3/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 1/20 0.36
NR4A2 P43354 2/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KLKB1 P03952 1/20 0.35
USP2 O75604 1/20 0.34
MAPK10 P53779 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 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
SCHEMBL8556349 0.96 RXRA (0.38) RXRARXRBRXRGCA1CA2
SCHEMBL8556756 0.92 NPC1 (0.39) RXRARXRBRXRGCA1CA2
SCHEMBL8558684 0.90 RXRA (0.46) RXRARXRBRXRGCA1CA2
SCHEMBL8553420 0.90 MAPT (0.40) RXRARXRBRXRGCA1CA2
SCHEMBL8559362 0.90 ALOX5AP (0.40) RXRARXRBRXRGNPC1RAB9A
SCHEMBL8555966 0.90 CA12 (0.37) RXRARXRBRXRGCA1CA2
SCHEMBL8559713 0.90 FABP1 (0.38) RXRARXRBRXRGNPC1RAB9A
SCHEMBL8555050 0.90 NPC1 (0.39) RXRARXRBRXRGCA1CA2
SCHEMBL8561430 0.88 ALOX5AP (0.40) RXRARXRBRXRGNPC1RAB9A
SCHEMBL8556716 0.88 NR4A2 (0.38) RXRARXRBRXRGCA1CA2

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