SCHEMBL9874698

SCHEMBL9874698

C[C@@H](CN(C)C(=O)OC(C)(C)C)n1cc(C(=O)O)c(=O)c2cc(F)c(C3(NC(=O)OCc4ccccc4)CC3)c(F)c21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.34
GSK3B P49841 2/20 0.33
BACE1 P56817 6/20 0.33
METTL3 Q86U44 1/20 0.33
RORC P51449 2/20 0.32
AURKA O14965 1/20 0.31
RPS6KB1 P23443 1/20 0.31
SYK P43405 1/20 0.31
TPSAB1 Q15661 2/20 0.31
TPSD1 Q9BZJ3 2/20 0.31
TPSG1 Q9NRR2 2/20 0.31
PIM1 P11309 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9874707 1.00 STAT3 (0.34) STAT3GSK3BBACE1METTL3RORC
SCHEMBL9873918 0.85 GSK3B (0.38) STAT3GSK3BMETTL3RORCPIM1
SCHEMBL9873914 0.85 GSK3B (0.38) STAT3GSK3BMETTL3RORCPIM1
SCHEMBL9871406 0.71 KDM4E (0.44) STAT3GSK3BKDM4EKMT2A
SCHEMBL9873589 0.71 KDM4E (0.62) GSK3BKDM4EKMT2A
SCHEMBL9873858 0.70 RORC (0.42) RORC
SCHEMBL9873439 0.66 STAT3 (0.43) STAT3RORCPIM1KDM4EKMT2A
SCHEMBL9874569 0.65 RORC (0.41) RORCKDM4EKMT2A
SCHEMBL9787964 0.64 IKBKB (0.60) AURKAPIM1
SCHEMBL9873617 0.64 KDM4E (0.53) STAT3GSK3BKDM4EKMT2A

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