SCHEMBL7202738

SCHEMBL7202738

CC(C(=O)O)c1cn(C(=O)C2CC2)c2cc(Cl)ccc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.40
MEN1 O00255 1/20 0.38
ABCC4 O15439 1/20 0.38
C5 P01031 1/20 0.38
MAPT P10636 1/20 0.38
PTGS1 P23219 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4D Q08499 1/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
KMO O15229 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7202476 0.95 CNR1 (0.40) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6171169 0.76 AKR1C3 (0.46) PTGS1ALDH1A1
SCHEMBL7202731 0.73 LMNA (0.39) PTGS2MAPTKMT2APSEN1PSEN2
SCHEMBL6172688 0.72 AKR1C3 (0.49) MAPTPTGS1ALDH1A1
SCHEMBL6169150 0.72 AKR1C3 (0.44) PTGS1ALDH1A1
SCHEMBL7241953 0.70 KMT2A (0.48) PTGS2MEN1ABCC4C5MAPT
SCHEMBL2000060 0.69 BAZ2B (0.38) PTGS2MEN1MAPTPTGS1KMT2A
SCHEMBL6169838 0.68 AKR1C3 (0.47) MAPTPTGS1ALDH1A1
SCHEMBL25139928 0.68 PSEN1 (0.45) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL30708155 0.68 PSEN1 (0.45) MEN1KMT2APSEN1PSEN2APH1B

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 2 patents. 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 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