SCHEMBL6172663

SCHEMBL6172663

COc1ccc2c(C(C)C(=O)O)c(C(=O)c3ccc(Cl)cc3)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.45
MAPT P10636 5/20 0.45
PTGS2 P35354 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ABCC4 O15439 1/20 0.45
C5 P01031 1/20 0.45
PTGS1 P23219 1/20 0.45
PDE4D Q08499 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GPR17 Q13304 1/20 0.43
TP53 P04637 2/20 0.43
AKR1C3 P42330 1/20 0.42

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
SCHEMBL6172503 0.93 PTGS2 (0.47) HPGDMAPTPTGS2KMT2AMEN1
SCHEMBL6172928 0.91 HPGD (0.47) HPGDPOLBMAPTPTGS2KMT2A
SCHEMBL6171537 0.88 PTGS2 (0.53) MAPTPTGS2KMT2AMEN1ABCC4
SCHEMBL6170865 0.87 MAP2 (0.52) HPGDPOLBMAPTPTGS2KMT2A
SCHEMBL6174354 0.86 MEN1 (0.52) MAPTPTGS2KMT2AMEN1ABCC4
SCHEMBL6172994 0.86 PTGS2 (0.46) MAPTPTGS2KMT2AMEN1ABCC4
SCHEMBL6171312 0.85 PTGS2 (0.47) MAPTPTGS2KMT2AMEN1ABCC4
SCHEMBL7205524 0.85 MDM2 (0.47) POLBMAPTPTGS2KMT2AMEN1
SCHEMBL6169876 0.84 PTGS2 (0.46) MAPTPTGS2KMT2AMEN1ABCC4
SCHEMBL6171552 0.83 PTGS2 (0.44) MAPTPTGS2KMT2AMEN1ABCC4

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