SCHEMBL5560588

SCHEMBL5560588

CC(=O)Oc1c(C)n(C(=O)c2cccc(Cl)c2)c2cc(F)c(O)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ELANE P08246 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABCB11 O95342 1/20 0.37
SRC P12931 1/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 2/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 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
SCHEMBL5559414 0.90 LMNA (0.40) MAPTKMT2AELANEALDH1A1SRC
SCHEMBL5800049 0.87 KMT2A (0.37) MAPTKMT2ASRCHTTKDM4E
SCHEMBL5560264 0.86 PTGS2 (0.35) MAPTKMT2APKMELANEABCB11
SCHEMBL5559667 0.86 PTGS2 (0.35) MAPTABCB11SRCHTTKDM4E
SCHEMBL6025282 0.84 PTGS1 (0.47) MAPTKMT2APKMCNR1CNR2
SCHEMBL5553811 0.84 MAPT (0.40) MAPTKMT2APKMALDH1A1SRC
SCHEMBL5814619 0.81 CNR1 (0.38) MAPTKMT2APKMCNR1CNR2
SCHEMBL5822002 0.80 CNR2 (0.58) MAPTKMT2ACNR1CNR2ABCB11
SCHEMBL5558604 0.80 SRC (0.47) KMT2AALDH1A1SRCKDM4EHSD17B10
SCHEMBL5547116 0.79 PTGS2 (0.43) KMT2ACNR1CNR2ELANEALDH1A1

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