SCHEMBL5800476

SCHEMBL5800476

Cc1c(C(C)C(=O)NCCO)c2cc(O)c(F)cc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.37
TRPV1 Q8NER1 1/20 0.37
PTGS1 P23219 1/20 0.35
POLB P06746 1/20 0.35
CXCL8 P10145 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
SRC P12931 1/20 0.34
MAPT P10636 1/20 0.34
ELANE P08246 1/20 0.34
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL5561036 0.93 TRPV1 (0.38) PTGS2TRPV1POLBCNR1CNR2
SCHEMBL5561041 0.93 TRPV1 (0.38) PTGS2TRPV1POLBCNR1CNR2
SCHEMBL5559177 0.91 CCKBR (0.38) PTGS2TRPV1
SCHEMBL5559187 0.91 CCKBR (0.38) PTGS2TRPV1
SCHEMBL5800856 0.91 AKR1C3 (0.36) PTGS2CXCL8SRCMAPTELANE
SCHEMBL5808507 0.90 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL5558881 0.89 EGLN1 (0.37) PTGS2TRPV1POLB
SCHEMBL5558874 0.89 EGLN1 (0.37) PTGS2TRPV1POLB
SCHEMBL5558870 0.89 EGLN1 (0.37) PTGS2TRPV1POLB
SCHEMBL5800851 0.89 PTGS2 (0.37) PTGS2PTGS1SRC

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
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed