SCHEMBL5797729

SCHEMBL5797729

CCCOC(=O)[C@@H](C)c1c(C)n(C(=O)c2cccc(Cl)c2)c2cc(F)c(O)cc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.40
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PTGS2 P35354 1/20 0.38
MGLL Q99685 3/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL5797723 1.00 ELANE (0.40) ELANECNR1CNR2PTGS2MGLL
SCHEMBL5800743 0.95 PTGS2 (0.40) ELANECNR1CNR2PTGS2MGLL
SCHEMBL5800746 0.95 PTGS2 (0.40) ELANECNR1CNR2PTGS2MGLL
SCHEMBL5558886 0.94 ELANE (0.44) ELANECNR1CNR2MGLLMEN1
SCHEMBL5558888 0.94 ELANE (0.44) ELANECNR1CNR2MGLLMEN1
SCHEMBL5797811 0.91 LMNA (0.41) ELANEPTGS2KMT2ASMN1; SMN2HPGD
SCHEMBL5797814 0.91 LMNA (0.41) ELANEPTGS2KMT2ASMN1; SMN2HPGD
SCHEMBL5797034 0.90 PTGS2 (0.47) PTGS2
SCHEMBL5797041 0.90 PTGS2 (0.47) PTGS2
SCHEMBL5801106 0.88 MGLL (0.41) ELANECNR1CNR2MGLLMEN1

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