SCHEMBL9729899

SCHEMBL9729899

COC(=O)CCCOc1ccc(C(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
HPGD P15428 2/20 0.54
LMNA P02545 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PPARA Q07869 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50
HTT P42858 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.49
VNN1 O95497 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
SCHEMBL9730131 0.86 PPARA (0.69) MAPTHPGDLMNAMEN1KMT2A
SCHEMBL6440120 0.85 MAPT (0.54) MAPTHPGDLMNAMEN1KMT2A
SCHEMBL14566050 0.85 MAPT (0.56) MAPTHPGDLMNAMEN1KMT2A
SCHEMBL11456703 0.84 L3MBTL1 (0.71) MAPTHPGDLMNAMEN1KMT2A
SCHEMBL1814631 0.83 MAPT (0.62) MAPTHPGDLMNAMEN1KMT2A
SCHEMBL11233455 0.83 MAPT (0.66) MAPTHPGDLMNAMEN1KMT2A
SCHEMBL14821465 0.82 PPARA (0.44) MAPTLMNAKMT2ARAB9APPARA
SCHEMBL14821466 0.82 PPARA (0.44) MAPTLMNAKMT2ARAB9APPARA
SCHEMBL10428949 0.82 MAPT (0.59) MAPTHPGDLMNAMEN1KMT2A
SCHEMBL10421733 0.81 ESRRB (0.53) MAPTHPGDLMNAKMT2ARAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5124478-A ACID-LABILE ANCHOR GROUPS FOR THE SYNTHESIS OF PEPTIDE AMIDES BY A SOLID-PHASE METHOD HOECHST AKTIENGESELLSCHAFT (DE) 1992-06-23 US disclosed