SCHEMBL5553811

SCHEMBL5553811

CC(=O)Oc1c(C)n(C(=O)c2ccc(C)cc2)c2cc(F)c(O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
AKR1C3 P42330 4/20 0.39
AKR1C2 P52895 4/20 0.39
BCL2 P10415 1/20 0.38
MDM2 Q00987 1/20 0.38
MCL1 Q07820 1/20 0.38
SRC P12931 4/20 0.37
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRKACA P17612 3/20 0.34
PRKACG P22612 3/20 0.34
PRKACB P22694 3/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5800049 0.90 KMT2A (0.37) MAPTHTTAKR1C3AKR1C2SRC
SCHEMBL5558604 0.89 SRC (0.47) AKR1C3AKR1C2BCL2MDM2MCL1
SCHEMBL5558979 0.87 AKR1C3 (0.39) AKR1C3AKR1C2
SCHEMBL5559667 0.87 PTGS2 (0.35) MAPTHTTAKR1C3AKR1C2SRC
SCHEMBL5560264 0.87 PTGS2 (0.35) MAPTHTTAKR1C3AKR1C2SRC
SCHEMBL5559414 0.86 LMNA (0.40) MAPTHTTLMNAAKR1C3AKR1C2
SCHEMBL5560588 0.84 MAPT (0.39) MAPTHTTLMNAAKR1C3AKR1C2
SCHEMBL6423406 0.80 KMT2A (0.37) MAPTHTTKDM4ETP53GAA
SCHEMBL3005516 0.80
SCHEMBL5553765 0.80 AKR1C3 (0.45) MAPTHTTLMNAAKR1C3AKR1C2

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