SCHEMBL9044252

SCHEMBL9044252

COC(=O)C(=O)c1ccc(OCCCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.58
RAB9A P51151 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 2/20 0.56
S1PR1 P21453 4/20 0.54
PLA2G4B P0C869 1/20 0.54
S1PR3 Q99500 1/20 0.54
MAPT P10636 2/20 0.54
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PPARG P37231 1/20 0.53
NR1H4 Q96RI1 1/20 0.51
SCN5A Q14524 1/20 0.50
SCN2A Q99250 1/20 0.50

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
SCHEMBL9040101 0.96 PLA2G4B (0.60) FFAR1RAB9AMEN1KMT2ANPC1
SCHEMBL9043347 0.93 FFAR1 (0.57) FFAR1RAB9AMEN1KMT2ANPC1
SCHEMBL9042678 0.88 MAPT (0.64) RAB9APLA2G4BMAPT
SCHEMBL9044525 0.88 MAPT (0.64) RAB9APLA2G4BMAPTPPARG
SCHEMBL9044226 0.87 MAPT (0.62) RAB9APLA2G4BMAPT
SCHEMBL9043707 0.87 MAPT (0.62) RAB9APLA2G4BMAPT
SCHEMBL9119262 0.87 MEN1 (0.47) FFAR1RAB9AMEN1KMT2ANPC1
SCHEMBL9044510 0.86 MAPT (0.71) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL9044236 0.86 MAOB (0.49) FFAR1S1PR1S1PR3MAPTSMN1; SMN2
SCHEMBL9041562 0.85 PPARG (0.50) FFAR1RAB9ANPC1S1PR1S1PR3

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