SCHEMBL19360467

SCHEMBL19360467

CC(C)n1c(Cc2ccc(O)cc2)cc2cc(C(=O)O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.54
GRIN2D O15399 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
CYP2D6 P10635 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
HCAR3 P49019 2/20 0.39
HPGD P15428 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL19360379 0.86 RORC (0.65) RORC
SCHEMBL19360586 0.83 KDM4E (0.40) RORCCYP2D6MEN1KMT2ATDP1
SCHEMBL28197905 0.83 RORC (0.50) RORC
SCHEMBL19360371 0.79 RORC (0.62) RORCSLC22A12HCAR3HPGDHCAR2
SCHEMBL19360317 0.78 RORC (0.65) RORC
SCHEMBL19360624 0.77 L3MBTL1 (0.41) RORCCYP2D6MEN1KMT2ATDP1
SCHEMBL19360368 0.75 RORC (0.63) RORC
SCHEMBL19360300 0.75 RORC (0.63) RORC
SCHEMBL7877815 0.74 HCAR3 (0.47) RORCGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL19360378 0.74 RORC (0.64) RORC

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-2017157332-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATIONS THEREOF 江苏恒瑞医药股份有限公司 2017-09-21 WO disclosed