SCHEMBL19625967

SCHEMBL19625967

CCc1cc(N=O)cc(C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.37
MAPT P10636 6/20 0.37
MAPK1 P28482 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL9877225 0.87 GABRA1 (0.46) MAPK1ESR1ESR2GABRA1GABRB2
SCHEMBL14154535 0.83 MAPT (0.42) SHBGMAPTMAPK1L3MBTL1NPSR1
SCHEMBL836394 0.83 CA1 (0.50) MAPTMAPK1L3MBTL1ESR1ESR2
SCHEMBL14011317 0.81 MAPT (0.41) SHBGMAPTMAPK1L3MBTL1NPSR1
SCHEMBL28174120 0.75 BRD4 (0.38) MAPTMAPK1L3MBTL1NPSR1ESR1
SCHEMBL13678595 0.75 ALDH1A1 (0.35) SHBGMAPTMAPK1GABRA1GABRB2
SCHEMBL9749694 0.74 CA1 (0.59) SHBGMAPTESR1ESR2GABRA1
SCHEMBL70083 0.74 CYP3A4 (0.42) SHBGESR1ESR2GABRA1GABRB2
SCHEMBL1021767 0.74 ALDH1A1 (0.48) SHBGMAPTMAPK1L3MBTL1ESR1
SCHEMBL31028130 0.74 CA1 (0.59) SHBGMAPTESR1ESR2GABRA1

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-20170335087-A1 Method for providing resistance to yellowing in polyamide articles and polyamide articles obtained from this method RHODIA POLIAMIDA E ESPECIALIDADES LTDA (BR) 2017-11-23 US disclosed