SCHEMBL5554426

SCHEMBL5554426

CCc1c(O)ccc2c1c(OC(C)=O)c(C)n2C(=O)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
ELANE P08246 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
TSHR P16473 3/20 0.37
HTT P42858 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 7/20 0.36
CASP1 P29466 1/20 0.35
PLA2G7 Q13093 1/20 0.35
KCNH2 Q12809 1/20 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
SCHEMBL5553743 0.88 AKR1C3 (0.35) LMNAAKR1C3AKR1C2SMN1; SMN2MAPT
SCHEMBL5560599 0.84 LMNA (0.39) LMNAAKR1C3AKR1C2ELANESMN1; SMN2
SCHEMBL5558968 0.82 PTGS2 (0.44) LMNAAKR1C3AKR1C2MAPTNPSR1
SCHEMBL5814353 0.80 LMNA (0.36) LMNAAKR1C3AKR1C2ELANESMN1; SMN2
SCHEMBL5814619 0.78 CNR1 (0.38) AKR1C3AKR1C2ELANESMN1; SMN2MAPT
SCHEMBL5553680 0.78 LMNA (0.39) LMNAAKR1C3AKR1C2ELANESMN1; SMN2
SCHEMBL5553721 0.78 AKR1C3 (0.44) LMNAAKR1C3AKR1C2ELANESMN1; SMN2
SCHEMBL5559414 0.77 LMNA (0.40) LMNAAKR1C3AKR1C2ELANESMN1; SMN2
SCHEMBL5559081 0.74 PTGS1 (0.43) LMNAAKR1C3AKR1C2MAPTNPSR1
SCHEMBL5558739 0.74 AKR1C3 (0.57) LMNAAKR1C3AKR1C2SMN1; SMN2MAPT

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 3 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
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