SCHEMBL5800435

SCHEMBL5800435

CC(=O)Oc1c(C)n(C(=O)c2ccc(Cl)c(F)c2)c2ccc(O)c(F)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.35
AKR1C3 P42330 4/20 0.34
AKR1C2 P52895 4/20 0.34
PTGS2 P35354 5/20 0.33
SLC22A12 Q96S37 1/20 0.33
PTGS1 P23219 4/20 0.32
TACR3 P29371 2/20 0.31
TACR2 P21452 1/20 0.31
TACR1 P25103 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
PTGES O14684 1/20 0.31
ABCC3 O15438 1/20 0.31
ABCC4 O15439 1/20 0.31
ABCB11 O95342 1/20 0.31
MT-CO2 P00403 1/20 0.31
LMNA P02545 1/20 0.31
ALB P02768 1/20 0.31

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
SCHEMBL5800516 0.93 ABCB11 (0.35) AKR1C3AKR1C2PTGS2SLC22A12PTGS1
SCHEMBL5554202 0.88 TACR3 (0.33) MAOBAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL5559110 0.88 MAOB (0.35) MAOBAKR1C3AKR1C2PTGS2SLC22A12
SCHEMBL5799149 0.87 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2PTGS1KDM4E
SCHEMBL5814619 0.85 CNR1 (0.38) AKR1C3AKR1C2PTGS2ABCB11MAPT
SCHEMBL5560487 0.85 PDE2A (0.37) MAOBAKR1C3AKR1C2PTGS2TACR3
SCHEMBL5560527 0.85 PTGS2 (0.33) MAOBAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL5561193 0.82 HPGD (0.34) AKR1C3AKR1C2PTGS2LMNAKMT2A
SCHEMBL5559667 0.82 PTGS2 (0.35) MAOBAKR1C3AKR1C2PTGS2SLC22A12
SCHEMBL5800412 0.82 PTGS2 (0.46) MAOBAKR1C3AKR1C2PTGS2PTGS1

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