SCHEMBL9874569

SCHEMBL9874569

CCOC(=O)c1cc(F)c(C2(NC(=O)OCc3ccccc3)CC2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.41
TSHR P16473 4/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MGLL Q99685 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
STAT1 P42224 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 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
SCHEMBL9875839 0.89 RORC (0.40) RORCTSHRCTSLCTSBCTSS
SCHEMBL9873858 0.88 RORC (0.42) RORCTSHRCTSLCTSBCTSS
SCHEMBL9873493 0.86 RORC (0.40) RORCTSHRCTSLCTSBCTSS
SCHEMBL9873533 0.81 RORC (0.35) RORCCTSLCTSBCTSSTDP1
SCHEMBL9873530 0.81 RORC (0.35) RORCCTSLCTSBCTSSTDP1
SCHEMBL9875722 0.80 RORC (0.35) RORCTSHRCTSLCTSBCTSS
SCHEMBL9874444 0.80 RORC (0.35) RORCTSHRCTSLCTSBCTSS
SCHEMBL9874253 0.78 RORC (0.43) RORCTSHRCTSLCTSBCTSS
SCHEMBL9872276 0.78 RORC (0.41) RORCCTSLCTSBCTSSTDP1
SCHEMBL9872800 0.77 RORC (0.43) RORCCTSLCTSBCTSSHTT

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-4990508-A Reduced side effects TOYAMA CHEMICAL CO., LTD. (JP) 1991-02-05 US disclosed