SCHEMBL5798014

SCHEMBL5798014

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ELANE P08246 3/20 0.38
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 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
SCHEMBL5798016 1.00 LMNA (0.41) LMNAELANEAKR1C3AKR1C2PTGS2
SCHEMBL5798594 0.95 LMNA (0.39) LMNAELANEAKR1C3AKR1C2PTGS2
SCHEMBL5800983 0.93 LMNA (0.45) LMNAELANEAKR1C3AKR1C2PTGS2
SCHEMBL5800985 0.93 LMNA (0.45) LMNAELANEAKR1C3AKR1C2PTGS2
SCHEMBL5797617 0.91 CNR1 (0.38) ELANEPTGS2SMN1; SMN2HPGDKMT2A
SCHEMBL5797616 0.91 CNR1 (0.38) ELANEPTGS2SMN1; SMN2HPGDKMT2A
SCHEMBL5797107 0.88 LMNA (0.40) LMNAELANEAKR1C3AKR1C2PTGS2
SCHEMBL5800235 0.88 PTGS2 (0.37) AKR1C3AKR1C2PTGS2ALDH1A1KMT2A
SCHEMBL5800238 0.88 PTGS2 (0.37) AKR1C3AKR1C2PTGS2ALDH1A1KMT2A
SCHEMBL5800520 0.88 LMNA (0.38) LMNAELANEAKR1C3AKR1C2ADRB2

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