SCHEMBL5801025

SCHEMBL5801025

Cc1c([C@@H](C)C(=O)OC(C)C)c2cc(O)c(F)cc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
ELANE P08246 3/20 0.38
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
SRC P12931 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
PIK3CD O00329 1/20 0.35
PLA2G7 Q13093 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL5801027 1.00 LMNA (0.39) LMNAELANEAKR1C3AKR1C2SRC
SCHEMBL5797359 0.90 LMNA (0.46) LMNAELANEAKR1C3AKR1C2SRC
SCHEMBL5797355 0.90 LMNA (0.46) LMNAELANEAKR1C3AKR1C2SRC
SCHEMBL5800627 0.88 PTGS2 (0.36)
SCHEMBL5800622 0.88 PTGS2 (0.36)
SCHEMBL5554442 0.88 SRC (0.40) LMNAELANEAKR1C3AKR1C2SRC
SCHEMBL5554437 0.88 SRC (0.40) LMNAELANEAKR1C3AKR1C2SRC
SCHEMBL5550631 0.88 SRC (0.40) LMNAELANEAKR1C3AKR1C2SRC
SCHEMBL5797811 0.87 LMNA (0.41) LMNAELANEAKR1C3AKR1C2SRC
SCHEMBL5797814 0.87 LMNA (0.41) LMNAELANEAKR1C3AKR1C2SRC

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