SCHEMBL9045102

SCHEMBL9045102

COC(=O)C(=O)c1ccc(OCCOc2ccc(Cl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 3/20 0.57
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.51
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
NFKB1 P19838 1/20 0.49
CASP3 P42574 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL9041763 0.92 MAPT (0.67) L3MBTL1SMN1; SMN2KDM4ETDP1MAPT
SCHEMBL9042386 0.87 MAPT (0.61) L3MBTL1KDM4EMAPTNPC1RAB9A
SCHEMBL2706993 0.86 CES2 (0.62) L3MBTL1SMN1; SMN2KDM4EMAPTNPC1
SCHEMBL9043691 0.85 MAPT (0.59) L3MBTL1TDP1MAPTNPC1RAB9A
SCHEMBL9044510 0.85 MAPT (0.71) L3MBTL1SMN1; SMN2KDM4ETDP1MAPT
SCHEMBL22407070 0.85 HPGD (0.53) SMN1; SMN2MAPTRAB9AALDH1A1NPSR1
SCHEMBL9042618 0.84 MAPT (0.57) L3MBTL1SMN1; SMN2KDM4ETDP1MAPT
SCHEMBL9046115 0.83 PLK1 (0.63) L3MBTL1SMN1; SMN2KDM4EMAPTNPC1
SCHEMBL9042412 0.81 PTPRC (0.59) L3MBTL1SMN1; SMN2KDM4ETDP1MAPT
SCHEMBL9044693 0.81 HDAC3 (0.62) L3MBTL1SMN1; SMN2KDM4ETDP1MAPT

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