SCHEMBL9044236

SCHEMBL9044236

COC(=O)C(=O)c1ccc(OCCCc2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.49
FAAH O00519 2/20 0.48
NR4A2 P43354 1/20 0.47
LTA4H P09960 1/20 0.46
FFAR1 O14842 1/20 0.46
PARP10 Q53GL7 1/20 0.46
LMNA P02545 2/20 0.45
PPARG P37231 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
PTPN7 P35236 1/20 0.45
DUSP3 P51452 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SLC2A4 P14672 1/20 0.43
SLC2A8 Q9NY64 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43

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
SCHEMBL9042618 0.89 MAPT (0.57) MAOBFAAHNR4A2PARP10LMNA
SCHEMBL9044252 0.86 FFAR1 (0.58) FFAR1PPARGMAPTSMN1; SMN2S1PR1
SCHEMBL9042419 0.85 PTPRC (0.58) MAOBNR4A2LTA4HFFAR1PARP10
SCHEMBL9040101 0.82 PLA2G4B (0.60) FFAR1MAPTSMN1; SMN2S1PR1S1PR3
SCHEMBL9043347 0.82 FFAR1 (0.57) FFAR1PPARGMAPTSMN1; SMN2
SCHEMBL9041763 0.81 MAPT (0.67) PARP10LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL9041562 0.81 PPARG (0.50) FFAR1PPARGMAPTS1PR1S1PR3
SCHEMBL14966315 0.80 MAPT (0.68) MAOBNR4A2PARP10MAPTSMN1; SMN2
SCHEMBL9043998 0.80 LMNA (0.53) FFAR1LMNAMAPTSMN1; SMN2GAA
SCHEMBL836180 0.79 CES2 (0.62) LMNAALDH1A1MAPTSMN1; SMN2GAA

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-0512352-B1 Substituted carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 1996-03-27 EP disclosed
US-5344843-A Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders HOFFMAN-LA ROCHE INC. (US) 1994-09-06 US disclosed
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 EP disclosed