SCHEMBL9873918

SCHEMBL9873918

CNCC(C)n1cc(C(=O)O)c(=O)c2cc(F)c(C3(NC(=O)OCc4ccccc4)CC3)c(F)c21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.38
STAT3 P40763 1/20 0.37
METTL3 Q86U44 1/20 0.36
PIM1 P11309 1/20 0.35
TOP1 P11387 6/20 0.35
RORC P51449 2/20 0.34
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
KCNH2 Q12809 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL9873914 1.00 GSK3B (0.38) GSK3BSTAT3METTL3PIM1TOP1
SCHEMBL9874707 0.85 STAT3 (0.34) GSK3BSTAT3METTL3PIM1RORC
SCHEMBL9874698 0.85 STAT3 (0.34) GSK3BSTAT3METTL3PIM1RORC
SCHEMBL9873589 0.75 KDM4E (0.62) GSK3BKDM4EKMT2AALDH1A1POLB
SCHEMBL9871406 0.75 KDM4E (0.44) GSK3BSTAT3TOP1KDM4EKMT2A
SCHEMBL9873858 0.75 RORC (0.42) RORCALDH1A1LMNA
SCHEMBL9787964 0.70 IKBKB (0.60) PIM1
SCHEMBL9874569 0.69 RORC (0.41) RORCKDM4EKMT2AALDH1A1POLB
SCHEMBL9873617 0.69 KDM4E (0.53) GSK3BSTAT3KDM4EKMT2AALDH1A1
SCHEMBL9873439 0.69 STAT3 (0.43) STAT3PIM1RORCKDM4EKMT2A

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