SCHEMBL5797616

SCHEMBL5797616

CCCOC(=O)[C@H](C)c1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)c(F)c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ELANE P08246 3/20 0.38
PTGS2 P35354 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.34
POLB P06746 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5797617 1.00 CNR1 (0.38) CNR1CNR2ELANEPTGS2SMN1; SMN2
SCHEMBL5801276 0.95 PTGS2 (0.39) CNR1CNR2ELANEPTGS2HPGD
SCHEMBL5801273 0.95 PTGS2 (0.39) CNR1CNR2ELANEPTGS2HPGD
SCHEMBL5798158 0.94 ELANE (0.41) CNR1CNR2ELANEPTGS2SMN1; SMN2
SCHEMBL5798014 0.91 LMNA (0.41) ELANEPTGS2SMN1; SMN2HPGDPOLB
SCHEMBL5798016 0.91 LMNA (0.41) ELANEPTGS2SMN1; SMN2HPGDPOLB
SCHEMBL5797205 0.89 ELANE (0.38) CNR1CNR2ELANEPTGS2SMN1; SMN2
SCHEMBL5797209 0.89 ELANE (0.38) CNR1CNR2ELANEPTGS2SMN1; SMN2
SCHEMBL5798896 0.89 PTGS2 (0.45) PTGS2
SCHEMBL5798899 0.89 PTGS2 (0.45) PTGS2

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