SCHEMBL7202731

SCHEMBL7202731

CC(C(=O)O)c1cn(C(=O)c2ccccc2S(C)(=O)=O)c2cc(Cl)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
PTGS2 P35354 2/20 0.37
BCAT2 O15382 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
MMP16 P51512 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6168330 0.80 AKR1C3 (0.44) LMNAALDH1A1KMT2A
SCHEMBL7202738 0.73 PTGS2 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7202476 0.71 CNR1 (0.40) PTGS2MAPTKMT2A
SCHEMBL7203324 0.71 PTGS2 (0.45) PTGS2MAPTKMT2A
SCHEMBL2208256 0.67 MMP2 (0.62) LMNAPTGS2BCAT2MMP1MMP2
SCHEMBL7241953 0.64 KMT2A (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20769655 0.64 ALDH1A1 (0.51) LMNAALDH1A1
SCHEMBL2000060 0.63 BAZ2B (0.38) LMNAPTGS2ALDH1A1MAPTKMT2A
SCHEMBL11569102 0.62 AKR1C3 (0.65) LMNAPTGS2MAPTKMT2A
SCHEMBL25139928 0.62 PSEN1 (0.45) LMNAPSEN1PSEN2APH1BNCSTN

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