SCHEMBL5798158

SCHEMBL5798158

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MGLL Q99685 1/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PTGS2 P35354 1/20 0.35
MAPT P10636 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
SCHEMBL5797617 0.94 CNR1 (0.38) ELANECNR1CNR2SMN1; SMN2PSEN1
SCHEMBL5797616 0.94 CNR1 (0.38) ELANECNR1CNR2SMN1; SMN2PSEN1
SCHEMBL5801273 0.92 PTGS2 (0.39) ELANECNR1CNR2PSEN1PSEN2
SCHEMBL5801276 0.92 PTGS2 (0.39) ELANECNR1CNR2PSEN1PSEN2
SCHEMBL6423511 0.91 ELANE (0.37) ELANECNR1CNR2SMN1; SMN2HPGD
SCHEMBL5559072 0.91 ELANE (0.37) ELANECNR1CNR2SMN1; SMN2HPGD
SCHEMBL5801111 0.91 CNR1 (0.36) ELANECNR1CNR2SMN1; SMN2HPGD
SCHEMBL5801105 0.91 CNR1 (0.36) ELANECNR1CNR2SMN1; SMN2HPGD
SCHEMBL5800985 0.90 LMNA (0.45) ELANESMN1; SMN2HPGDPOLBLMNA
SCHEMBL5800983 0.90 LMNA (0.45) ELANESMN1; SMN2HPGDPOLBLMNA

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