SCHEMBL5009953

SCHEMBL5009953

O=C(O)C=CC=Cc1cccc(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
MASP2 O00187 1/20 0.44
F2 P00734 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC4 P56524 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
RAB9A P51151 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NFKB1 P19838 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL1124438 0.87 PTGS2 (0.55) PTGS2HDAC1HDAC4TSHRLMNA
SCHEMBL1124437 0.87 PTGS2 (0.55) PTGS2HDAC1HDAC4TSHRLMNA
SCHEMBL1233338 0.86 HDAC1 (0.54) MASP2F2HDAC1LMNAMAPT
SCHEMBL1399154 0.86 HDAC1 (0.54) MASP2F2HDAC1LMNAMAPT
SCHEMBL11853194 0.80 POLB (0.50) MASP2F2HDAC1HDAC4LMNA
SCHEMBL11853199 0.80 POLB (0.50) MASP2F2HDAC1HDAC4LMNA
SCHEMBL13004933 0.77 NFKB1 (0.53) MASP2F2HDAC1HDAC4MAPT
SCHEMBL13004328 0.77 NFKB1 (0.53) MASP2F2HDAC1HDAC4MAPT
SCHEMBL17866914 0.77 NFKB1 (0.53) MASP2F2HDAC1HDAC4MAPT
SCHEMBL17866912 0.77 NFKB1 (0.53) MASP2F2HDAC1HDAC4MAPT

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
EP-1973877-A2 CANNIBINOID RECEPTOR MODULATORS SCHERING CORPORATION (US) 2008-10-01 EP disclosed
WO-2007084450-A2 CANNIBINOID RECEPTOR MODULATORS SCHERING CORPORATION (US) 2007-07-26 WO disclosed