SCHEMBL5800314

SCHEMBL5800314

CCC(C)OC(=O)C(C)c1c(C)n(C(=O)c2ccc(F)c(F)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.32
MGLL Q99685 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
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
SCHEMBL5822046 0.93 PTGS2 (0.39) PTGS2AKR1C3AKR1C2
SCHEMBL5798904 0.91 TSHR (0.35) PTGS2MGLLALDH1A1KMT2A
SCHEMBL5800822 0.91 PTGS2 (0.35) PTGS2MEN1KMT2AAKR1C3AKR1C2
SCHEMBL5813216 0.91 ALDH1A1 (0.35) PTGS2ALDH1A1MEN1KMT2AAKR1C3
SCHEMBL5813215 0.91 ALDH1A1 (0.35) PTGS2ALDH1A1MEN1KMT2AAKR1C3
SCHEMBL5800820 0.91 PTGS2 (0.35) PTGS2MEN1KMT2AAKR1C3AKR1C2
SCHEMBL5560746 0.90 ELANE (0.37) MGLLALDH1A1MEN1KMT2A
SCHEMBL5807770 0.89 LMNA (0.39) ALDH1A1MEN1KMT2AAKR1C3AKR1C2
SCHEMBL5800661 0.88 PTGS2 (0.37) PTGS2ALDH1A1MEN1KMT2AAKR1C3
SCHEMBL5800660 0.88 PTGS2 (0.37) PTGS2ALDH1A1MEN1KMT2AAKR1C3

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