SCHEMBL5559072

SCHEMBL5559072

CCC(C)OC(=O)C(C)c1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)c(F)c12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MGLL Q99685 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PTGS2 P35354 3/20 0.33
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
SCHEMBL6423511 1.00 ELANE (0.37) ELANECNR1CNR2MGLLPOLB
SCHEMBL5797107 0.91 LMNA (0.40) ELANEMEN1KMT2ASMN1; SMN2PTGS2
SCHEMBL5801111 0.91 CNR1 (0.36) ELANECNR1CNR2POLBMEN1
SCHEMBL5801105 0.91 CNR1 (0.36) ELANECNR1CNR2POLBMEN1
SCHEMBL5798158 0.91 ELANE (0.41) ELANECNR1CNR2MGLLPOLB
SCHEMBL5560746 0.90 ELANE (0.37) ELANECNR1CNR2MGLLPOLB
SCHEMBL5797099 0.89 PTGS2 (0.40) PTGS2
SCHEMBL5797617 0.89 CNR1 (0.38) ELANECNR1CNR2POLBMEN1
SCHEMBL5560484 0.89 TSHR (0.35) MGLLPTGS2
SCHEMBL5797616 0.89 CNR1 (0.38) ELANECNR1CNR2POLBMEN1

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