SCHEMBL6172482

SCHEMBL6172482

CC(C(=O)O)c1c(C(=O)c2ccc(-c3ccccc3)cc2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.48
MEN1 O00255 1/20 0.48
ABCC4 O15439 1/20 0.48
C5 P01031 1/20 0.48
MAPT P10636 1/20 0.48
PTGS1 P23219 1/20 0.48
KMT2A Q03164 1/20 0.48
PDE4D Q08499 1/20 0.48
MDM2 Q00987 5/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44

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
SCHEMBL6168997 0.93 PTGS2 (0.52) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6171537 0.92 PTGS2 (0.53) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6170247 0.90 PTGS2 (0.42) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6172076 0.88 PTGS2 (0.50) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6171863 0.88 PTGS2 (0.50) PTGS2MEN1ABCC4C5MAPT
SCHEMBL7205524 0.88 MDM2 (0.47) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6172830 0.87 PTGS2 (0.43) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6171661 0.87 PTGS2 (0.43) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6172503 0.85 PTGS2 (0.47) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6172166 0.85 PTGS2 (0.49) PTGS2MEN1ABCC4C5MAPT

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