SCHEMBL5800223

SCHEMBL5800223

Cc1c(C(C)C(=O)OC2CCCC2)c2cc(O)ccc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
PIK3CD O00329 1/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.36
ELANE P08246 2/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 1/20 0.35
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL5800961 0.98 LMNA (0.40) LMNAKMT2AAKR1C3AKR1C2PIK3CD
SCHEMBL5797942 0.89 PTGS2 (0.43) PTGS2KDM4EELANECYP19A1ALDH1A1
SCHEMBL5801055 0.87 PTGS2 (0.41) PTGS2ELANE
SCHEMBL5800291 0.86 LMNA (0.39) LMNAKMT2AAKR1C3AKR1C2PIK3CD
SCHEMBL5797220 0.86 PTGS2 (0.40) KMT2AAKR1C3AKR1C2PTGS2MEN1
SCHEMBL5797992 0.86 LMNA (0.39) LMNAKMT2AAKR1C3AKR1C2PIK3CD
SCHEMBL5820041 0.86 PTGS2 (0.42) AKR1C3AKR1C2PTGS2KDM4ECYP19A1
SCHEMBL5797827 0.85 LMNA (0.47) LMNAKMT2AAKR1C3AKR1C2PTGS2
SCHEMBL5814641 0.85 AKR1C3 (0.41) LMNAAKR1C3AKR1C2PIK3CDPTGS2
SCHEMBL5797826 0.85 LMNA (0.47) LMNAKMT2AAKR1C3AKR1C2PTGS2

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