SCHEMBL5797065

SCHEMBL5797065

Cc1c(C(C)C(=O)OC(C)(C)C)c2c(F)c(O)ccc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.38
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ELANE P08246 1/20 0.35
SLC6A2 P23975 2/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
ITGA5 P08648 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
SLC6A4 P31645 1/20 0.34
CHRNA3 P32297 1/20 0.34
CYP2C19 P33261 1/20 0.34
HRH1 P35367 1/20 0.34
CHRNA7 P36544 1/20 0.34
OPRK1 P41145 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRND Q07001 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
SCHEMBL5553843 0.91 LMNA (0.38) APPELANESLC6A2CHRNB2CHRNB4
SCHEMBL5801105 0.90 CNR1 (0.36) CNR1CNR2ELANEPOLBSMN1; SMN2
SCHEMBL5801111 0.90 CNR1 (0.36) CNR1CNR2ELANEPOLBSMN1; SMN2
SCHEMBL5798158 0.90 ELANE (0.41) CNR1CNR2ELANEPOLBSMN1; SMN2
SCHEMBL5561064 0.89 AKR1C3 (0.39) APPAKR1C3AKR1C2PTGS2
SCHEMBL5808521 0.88 APP (0.37) APPAKR1C3AKR1C2PTGS2
SCHEMBL5824143 0.88 APP (0.38) APPSLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL5554699 0.88 PTGS2 (0.41) CNR1CNR2POLBALDH1A1AKR1C3
SCHEMBL5550614 0.88 PTGS2 (0.41) CNR1CNR2POLBALDH1A1AKR1C3
SCHEMBL5553556 0.88 PTGS2 (0.41) CNR1CNR2POLBALDH1A1AKR1C3

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