SCHEMBL5797308

SCHEMBL5797308

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MGLL Q99685 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL5797304 1.00 ELANE (0.41) ELANESMN1; SMN2CNR1CNR2MGLL
SCHEMBL5797205 0.94 ELANE (0.38) ELANESMN1; SMN2CNR1CNR2MGLL
SCHEMBL5797209 0.94 ELANE (0.38) ELANESMN1; SMN2CNR1CNR2MGLL
SCHEMBL5801301 0.92 PTGS2 (0.38) ELANESMN1; SMN2CNR1CNR2KMT2A
SCHEMBL5801297 0.92 PTGS2 (0.38) ELANESMN1; SMN2CNR1CNR2KMT2A
SCHEMBL5560746 0.91 ELANE (0.37) ELANESMN1; SMN2CNR1CNR2MGLL
SCHEMBL5813474 0.91 ELANE (0.35) ELANESMN1; SMN2CNR1CNR2L3MBTL1
SCHEMBL5813477 0.91 ELANE (0.35) ELANESMN1; SMN2CNR1CNR2L3MBTL1
SCHEMBL5797274 0.89 PTGS2 (0.42)
SCHEMBL5797277 0.89 PTGS2 (0.42)

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