SCHEMBL7203427

SCHEMBL7203427

CC(C(=O)O)c1c(C(=O)c2cc(C(O[SiH](C)C)C(C)(C)C)ccn2)[nH]c2ccc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.42
PTGS1 P23219 7/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ABCC4 O15439 1/20 0.42
C5 P01031 1/20 0.42
MAPT P10636 1/20 0.42
PDE4D Q08499 1/20 0.42
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
MAP2 P11137 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
SCHEMBL7201012 0.93 PTGS2 (0.40) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL6184233 0.85 PTGS2 (0.53) PTGS2PTGS1MEN1KMT2AKDM4E
SCHEMBL6172409 0.85 PTGS2 (0.50) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL6173187 0.82 PTGS2 (0.51) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL6175111 0.81 PTGS2 (0.48) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL6180880 0.80 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6169472 0.79 PTGS2 (0.48) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL8161932 0.79 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL6168568 0.77 PTGS2 (0.46) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL6171752 0.77 PTGS2 (0.49) PTGS2PTGS1MEN1KMT2AABCC4

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-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed