SCHEMBL5800975

SCHEMBL5800975

CCC(C)OC(=O)C(C)c1c(C)n(C(=O)c2ccc(Cl)c(Cl)c2)c2ccc(O)cc12

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.45
PTGS1 P23219 3/20 0.45
TSHR P16473 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ABCB11 O95342 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
SCHEMBL5822684 0.92 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6424972 0.90 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6424278 0.90 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6426910 0.90 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6424664 0.90 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5797391 0.90 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6423962 0.90 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6426692 0.90 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5799402 0.90 PTGS2 (0.47) PTGS2PTGS1TSHR
SCHEMBL5799396 0.90 PTGS2 (0.47) PTGS2PTGS1TSHR

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