SCHEMBL5819617

SCHEMBL5819617

CCC(C)C(C(=O)O)c1c(C)n(C(=O)c2cccc(F)c2)c2cc(F)c(OC(=O)C(c3c(C)n(C(=O)c4cccc(F)c4)c4cc(F)c(O)c(F)c34)C(C)C)c(F)c12

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
ELANE P08246 2/20 0.33
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31

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
SCHEMBL6423304 0.91 LMNA (0.36) LMNAELANEAKR1C3AKR1C2
SCHEMBL6426577 0.91 LMNA (0.36) LMNAELANEAKR1C3AKR1C2
SCHEMBL6426580 0.91 LMNA (0.36) LMNAELANEAKR1C3AKR1C2
SCHEMBL6423301 0.91 LMNA (0.36) LMNAELANEAKR1C3AKR1C2
SCHEMBL5559461 0.91 LMNA (0.36) LMNAELANEAKR1C3AKR1C2
SCHEMBL5800085 0.90 AKR1C3 (0.40) LMNAELANEAKR1C3AKR1C2
SCHEMBL6427006 0.85 AKR1C3 (0.36) LMNAAKR1C3AKR1C2
SCHEMBL6424841 0.83 MEN1 (0.38) LMNAELANEAKR1C3AKR1C2
SCHEMBL6425641 0.83 MEN1 (0.38) LMNAELANEAKR1C3AKR1C2
SCHEMBL6424857 0.83 MEN1 (0.38) LMNAELANEAKR1C3AKR1C2

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