SCHEMBL5797205

SCHEMBL5797205

CCCOC(=O)[C@H](C)c1c(C)n(C(=O)c2cccc(Cl)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PTGS2 P35354 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL5797209 1.00 ELANE (0.38) ELANECNR1CNR2PTGS2SMN1; SMN2
SCHEMBL5801301 0.95 PTGS2 (0.38) ELANECNR1CNR2PTGS2SMN1; SMN2
SCHEMBL5801297 0.95 PTGS2 (0.38) ELANECNR1CNR2PTGS2SMN1; SMN2
SCHEMBL5797308 0.94 ELANE (0.41) ELANECNR1CNR2SMN1; SMN2ALDH1A1
SCHEMBL5797304 0.94 ELANE (0.41) ELANECNR1CNR2SMN1; SMN2ALDH1A1
SCHEMBL5800661 0.90 PTGS2 (0.37) PTGS2ALDH1A1MEN1KMT2A
SCHEMBL5798592 0.90 PTGS2 (0.44) PTGS2
SCHEMBL5800660 0.90 PTGS2 (0.37) PTGS2ALDH1A1MEN1KMT2A
SCHEMBL5798596 0.90 PTGS2 (0.44) PTGS2
SCHEMBL5797617 0.89 CNR1 (0.38) ELANECNR1CNR2PTGS2SMN1; SMN2

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