SCHEMBL6172928

SCHEMBL6172928

COc1ccc2[nH]c(C(=O)c3ccc(Cl)cc3)c(C(C)C(=O)O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
POLB P06746 2/20 0.45
MAPT P10636 4/20 0.45
PTGS2 P35354 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 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
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
MAP2 P11137 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43
FLT3 P36888 1/20 0.43
PDGFRB P09619 2/20 0.43

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
SCHEMBL6170865 0.93 MAP2 (0.52) HPGDPOLBMAPTPTGS2MEN1
SCHEMBL6172663 0.91 HPGD (0.47) HPGDPOLBMAPTPTGS2MEN1
SCHEMBL6168495 0.87 MAPT (0.45) MAPTPTGS2MEN1KMT2AABCC4
SCHEMBL6172503 0.87 PTGS2 (0.47) HPGDMAPTPTGS2MEN1KMT2A
SCHEMBL6171246 0.85 PTGS2 (0.47) MAPTPTGS2MEN1KMT2AABCC4
SCHEMBL6171993 0.84 PTGS2 (0.52) POLBMAPTPTGS2MEN1KMT2A
SCHEMBL6173199 0.83 MAPT (0.47) HPGDMAPTPTGS2MEN1KMT2A
SCHEMBL6173940 0.82 CNR1 (0.46) HPGDPOLBMAPTPTGS2MEN1
SCHEMBL6171881 0.82 KIF11 (0.46) POLBMAPTPTGS2MEN1KMT2A
SCHEMBL6172333 0.81 MEN1 (0.44) MAPTPTGS2MEN1KMT2AABCC4

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