SCHEMBL5553843

SCHEMBL5553843

Cc1c(C(C)C(=O)OC(C)(C)C)c2c(F)c(O)ccc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
ELANE P08246 2/20 0.35
ALDH1A1 P00352 3/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
PIK3CD O00329 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KMT2A Q03164 2/20 0.33
APP P05067 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 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
SCHEMBL5797065 0.91 APP (0.38) AKR1C3AKR1C2ELANEALDH1A1SMN1; SMN2
SCHEMBL5800520 0.89 LMNA (0.38) LMNAAKR1C3AKR1C2ELANEALDH1A1
SCHEMBL5800522 0.89 LMNA (0.38) LMNAAKR1C3AKR1C2ELANEALDH1A1
SCHEMBL5800983 0.89 LMNA (0.45) LMNAAKR1C3AKR1C2ELANEALDH1A1
SCHEMBL5800985 0.89 LMNA (0.45) LMNAAKR1C3AKR1C2ELANEALDH1A1
SCHEMBL5799942 0.88 LMNA (0.37) LMNAAKR1C3AKR1C2ELANEALDH1A1
SCHEMBL5824143 0.87 APP (0.38) AKR1C3AKR1C2KMT2AAPPMEN1
SCHEMBL5547108 0.87 AKR1C3 (0.40) LMNAAKR1C3AKR1C2ALDH1A1PIK3CD
SCHEMBL5557670 0.87 AKR1C3 (0.40) LMNAAKR1C3AKR1C2ALDH1A1PIK3CD
SCHEMBL5554693 0.87 AKR1C3 (0.40) LMNAAKR1C3AKR1C2ALDH1A1PIK3CD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 WO disclosed