SCHEMBL5554459

SCHEMBL5554459

COc1c(Cl)cc2c(c(OC(C)=O)c(C)n2C(=O)c2ccc(OC(F)F)cc2)c1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.38
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS2 P35354 6/20 0.36
PTGS1 P23219 3/20 0.36
POLB P06746 1/20 0.35
ABCB1 P08183 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
PTGES O14684 1/20 0.35
ABCC3 O15438 1/20 0.35
ABCC4 O15439 1/20 0.35
ABCB11 O95342 1/20 0.35
MT-CO2 P00403 1/20 0.35
LMNA P02545 1/20 0.35
ALB P02768 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX5 P09917 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
SCHEMBL5554636 0.90 POLB (0.36) PPARGPTGS2POLBMEN1LMNA
SCHEMBL5560625 0.86 MAPT (0.37) PPARGMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5554632 0.86 PTGS1 (0.39) PPARGMAPTRAB9APTGS2PTGS1
SCHEMBL5554036 0.84 PTGS2 (0.42) PPARGPTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5558485 0.81 PPARG (0.36) PPARGPTGS2PTGS1POLBAKR1C3
SCHEMBL5558706 0.81 PPARG (0.36) PPARGPTGS2PTGS1POLBAKR1C3
SCHEMBL5800575 0.80 PTGS2 (0.43) PPARGMAPTRAB9APTGS2PTGS1
SCHEMBL5559588 0.79 PTGS1 (0.36) PPARGMAPTRAB9APTGS2PTGS1
SCHEMBL5559997 0.77 PPARG (0.33) PPARGSMN1; SMN2PTGS2LMNAAKR1C3
SCHEMBL5558673 0.77 PTGS2 (0.43) PPARGMAPTRAB9APTGS2PTGS1

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