SCHEMBL5800985

SCHEMBL5800985

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
ELANE P08246 2/20 0.42
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL5800983 1.00 LMNA (0.45) LMNAELANEAKR1C3AKR1C2ADRB2
SCHEMBL5798014 0.93 LMNA (0.41) LMNAELANEAKR1C3AKR1C2ADRB2
SCHEMBL5798016 0.93 LMNA (0.41) LMNAELANEAKR1C3AKR1C2ADRB2
SCHEMBL5798594 0.92 LMNA (0.39) LMNAELANEAKR1C3AKR1C2ADRB2
SCHEMBL5797107 0.91 LMNA (0.40) LMNAELANEAKR1C3AKR1C2ADRB2
SCHEMBL5798158 0.90 ELANE (0.41) LMNAELANESMN1; SMN2MAPTHPGD
SCHEMBL5800522 0.90 LMNA (0.38) LMNAELANEAKR1C3AKR1C2ADRB2
SCHEMBL5800520 0.90 LMNA (0.38) LMNAELANEAKR1C3AKR1C2ADRB2
SCHEMBL5553843 0.89 LMNA (0.38) LMNAELANEAKR1C3AKR1C2ADRB2
SCHEMBL5547108 0.88 AKR1C3 (0.40) LMNAAKR1C3AKR1C2ALDH1A1SMN1; SMN2

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