SCHEMBL5813385

SCHEMBL5813385

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
PTGS1 P23219 3/20 0.43
ELANE P08246 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40

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
SCHEMBL5813382 1.00 PTGS2 (0.45) PTGS2CNR1CNR2PTGS1ELANE
SCHEMBL5801437 0.94 PTGS2 (0.45) PTGS2CNR1CNR2PTGS1ELANE
SCHEMBL5801434 0.94 PTGS2 (0.45) PTGS2CNR1CNR2PTGS1ELANE
SCHEMBL5800526 0.91 PTGS2 (0.47) PTGS2CNR1CNR2PTGS1ELANE
SCHEMBL5800528 0.91 PTGS2 (0.47) PTGS2CNR1CNR2PTGS1ELANE
SCHEMBL5798916 0.90 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5797351 0.90 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5800571 0.88 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL5800568 0.88 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL5800746 0.86 PTGS2 (0.40) PTGS2CNR1CNR2ELANEPSEN1

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