SCHEMBL5799396

SCHEMBL5799396

CCOC(=O)[C@H](C)c1c(C)n(C(=O)c2ccc(Cl)c(Cl)c2)c2ccc(O)cc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.47
PTGS1 P23219 3/20 0.47
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ELANE P08246 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 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
SCHEMBL5799402 1.00 PTGS2 (0.47) PTGS2PTGS1TSHRMEN1KMT2A
SCHEMBL5798168 0.93 PTGS2 (0.45) PTGS2PTGS1TSHR
SCHEMBL5798165 0.93 PTGS2 (0.45) PTGS2PTGS1TSHR
SCHEMBL5800568 0.91 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL5800571 0.91 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL5800975 0.90 PTGS2 (0.45) PTGS2PTGS1TSHR
SCHEMBL5814024 0.89 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5797049 0.89 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5797534 0.89 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5797216 0.89 PTGS2 (0.44) 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