SCHEMBL5553680

SCHEMBL5553680

CC(=O)Oc1c(C)n(C(=O)c2cccc(F)c2)c2cc(C)c(O)c(F)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
ALDH1A1 P00352 6/20 0.37
PLA2G7 Q13093 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ELANE P08246 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 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
SCHEMBL5560536 0.79 KMT2A (0.36) AKR1C3AKR1C2KMT2AMEN1CES2
SCHEMBL5814619 0.79 CNR1 (0.38) ALDH1A1SMN1; SMN2ELANEAKR1C3AKR1C2
SCHEMBL5554426 0.78 LMNA (0.42) LMNAALDH1A1PLA2G7SMN1; SMN2ELANE
SCHEMBL5553721 0.78 AKR1C3 (0.44) LMNAALDH1A1PLA2G7SMN1; SMN2ELANE
SCHEMBL5561193 0.77 HPGD (0.34) LMNAALDH1A1ELANEAKR1C3AKR1C2
SCHEMBL5554202 0.77 TACR3 (0.33) AKR1C3AKR1C2
SCHEMBL5559390 0.77 AKR1C3 (0.42) LMNAAKR1C3AKR1C2KMT2AMEN1
SCHEMBL5559414 0.77 LMNA (0.40) LMNAALDH1A1PLA2G7SMN1; SMN2ELANE
SCHEMBL5560599 0.75 LMNA (0.39) LMNAALDH1A1PLA2G7SMN1; SMN2ELANE
SCHEMBL5814353 0.75 LMNA (0.36) LMNAALDH1A1PLA2G7SMN1; SMN2ELANE

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