Sugi Predict

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SCHEMBL5797942

SCHEMBL5797942

Cc1c(C(C)C(=O)OC2CCCC2)c2cc(O)ccc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.43
▸ PTGS1 P23219 2/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ PDE4B Q07343 1/20 0.38
▸ ELANE P08246 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP19A1 P11511 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
SCHEMBL5801055 0.98 PTGS2 (0.41) PTGS2PTGS1CNR1CNR2L3MBTL1
SCHEMBL6426829 0.90 PTGS2 (0.53) PTGS2PTGS1KDM4E
SCHEMBL6423291 0.90 PTGS2 (0.53) PTGS2PTGS1KDM4E
SCHEMBL5800397 0.90 PTGS2 (0.53) PTGS2PTGS1KDM4E
SCHEMBL5800223 0.89 LMNA (0.40) PTGS2ELANEKDM4EALDH1A1CYP19A1
SCHEMBL5798703 0.88 PTGS2 (0.43) PTGS2PTGS1CYP19A1
SCHEMBL6425513 0.88 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6423267 0.88 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL5797224 0.88 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL5800961 0.87 LMNA (0.40) PTGS2PTGS1ELANEALDH1A1

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