SCHEMBL5560746

SCHEMBL5560746

CCC(C)OC(=O)C(C)c1c(C)n(C(=O)c2cccc(Cl)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.37
MGLL Q99685 3/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 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
SCHEMBL5807770 0.92 LMNA (0.39) ELANEMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5797304 0.91 ELANE (0.41) ELANEMGLLMEN1KMT2APOLB
SCHEMBL5797308 0.91 ELANE (0.41) ELANEMGLLMEN1KMT2APOLB
SCHEMBL5813474 0.91 ELANE (0.35) ELANEMEN1KMT2APOLBSMN1; SMN2
SCHEMBL5813477 0.91 ELANE (0.35) ELANEMEN1KMT2APOLBSMN1; SMN2
SCHEMBL5822046 0.90 PTGS2 (0.39)
SCHEMBL5800314 0.90 PTGS2 (0.32) MGLLMEN1KMT2AALDH1A1
SCHEMBL5559072 0.90 ELANE (0.37) ELANEMGLLMEN1KMT2APOLB
SCHEMBL6423511 0.90 ELANE (0.37) ELANEMGLLMEN1KMT2APOLB
SCHEMBL5797205 0.89 ELANE (0.38) ELANEMGLLMEN1KMT2APOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 WO disclosed