SCHEMBL5801437

SCHEMBL5801437

CCCOC(=O)[C@@H](C)c1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)cc12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.45
PTGS1 P23219 3/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ELANE P08246 4/20 0.42
ALOX5 P09917 1/20 0.39
PTGES O14684 1/20 0.39

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
SCHEMBL5801434 1.00 PTGS2 (0.45) PTGS2PTGS1CNR1CNR2ELANE
SCHEMBL5813385 0.94 PTGS2 (0.45) PTGS2PTGS1CNR1CNR2ELANE
SCHEMBL5813382 0.94 PTGS2 (0.45) PTGS2PTGS1CNR1CNR2ELANE
SCHEMBL5800526 0.93 PTGS2 (0.47) PTGS2PTGS1CNR1CNR2ELANE
SCHEMBL5800528 0.93 PTGS2 (0.47) PTGS2PTGS1CNR1CNR2ELANE
SCHEMBL5797017 0.89 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL5797015 0.89 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL5799907 0.89 LMNA (0.42) PTGS2PTGS1ELANE
SCHEMBL5799905 0.89 LMNA (0.42) PTGS2PTGS1ELANE
SCHEMBL5801259 0.88 PTGS2 (0.44) PTGS2PTGS1CNR1CNR2ELANE

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