SCHEMBL4781992

SCHEMBL4781992

Cc1nc(-c2cc(C(=O)O)cc(C(C)(C)C)c2)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 5/20 0.46
RXRA P19793 4/20 0.46
RXRG P48443 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PLK1 P53350 1/20 0.43
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 1/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL30497176 0.87 RXRA (0.44) RXRBRXRARXRGL3MBTL1PLK1
SCHEMBL4782119 0.87 L3MBTL1 (0.43) L3MBTL1PLK1S1PR1S1PR3CA12
SCHEMBL25301433 0.87 RXRA (0.44) RXRBRXRARXRGL3MBTL1PLK1
SCHEMBL4904528 0.85 PLK1 (0.44) L3MBTL1PLK1S1PR1S1PR3CA12
SCHEMBL25301459 0.82 TPMT (0.50) RXRBRXRAL3MBTL1PLK1CA12
SCHEMBL31362829 0.82 TPMT (0.50) RXRBRXRAL3MBTL1PLK1CA12
SCHEMBL19131016 0.80 S1PR1 (0.59) RXRBRXRARXRGS1PR1S1PR3
SCHEMBL14752302 0.79 L3MBTL1 (0.46) L3MBTL1PLK1CA12CA1CA2
SCHEMBL25301375 0.79 L3MBTL1 (0.50) RXRBRXRAL3MBTL1PLK1CA12
SCHEMBL30497207 0.79 L3MBTL1 (0.50) RXRBRXRAL3MBTL1PLK1CA12

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
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed