SCHEMBL6168568

SCHEMBL6168568

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.46
PTGS1 P23219 6/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ABCC4 O15439 1/20 0.46
C5 P01031 1/20 0.46
MAPT P10636 1/20 0.46
PDE4D Q08499 1/20 0.46
SIRT1 Q96EB6 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
EGFR P00533 1/20 0.39
NHERF1 O14745 1/20 0.39
MAP2 P11137 1/20 0.37
UTS2R Q9UKP6 1/20 0.36

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
SCHEMBL6171752 0.92 PTGS2 (0.49) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL6172840 0.92 PTGS2 (0.44) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL6171454 0.90 PTGS2 (0.44) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL6173187 0.90 PTGS2 (0.51) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL6172409 0.86 PTGS2 (0.50) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL7203429 0.85 PTGS2 (0.40) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL7204602 0.85 PTGS2 (0.40) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL6174363 0.84 PTGS2 (0.49) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL6169472 0.84 PTGS2 (0.48) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL6175111 0.84 PTGS2 (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP claimed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US claimed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed