SCHEMBL13618236

SCHEMBL13618236

CCCCCCCCOc1ccc(C=O)cc1CCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.49
LTB4R Q15722 1/20 0.44
ALDH1A1 P00352 7/20 0.43
MAPT P10636 5/20 0.43
NPSR1 Q6W5P4 5/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
PLA2G2D Q9UNK4 1/20 0.42
HTT P42858 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
MAPK1 P28482 1/20 0.41
RAD52 P43351 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL30317585 0.84 FDPS (0.63) FDPSALDH1A1MAPTNPSR1HTT
SCHEMBL2945520 0.84 FDPS (0.63) FDPSALDH1A1MAPTNPSR1HTT
SCHEMBL30317632 0.84 FDPS (0.63) FDPSALDH1A1MAPTNPSR1HTT
SCHEMBL2948173 0.84 FDPS (0.63) FDPSALDH1A1MAPTNPSR1HTT
SCHEMBL5053914 0.84 FDPS (0.63) FDPSALDH1A1MAPTNPSR1HTT
SCHEMBL10497454 0.84 FDPS (0.63) FDPSALDH1A1MAPTNPSR1HTT
SCHEMBL10497979 0.84 FDPS (0.63) FDPSALDH1A1MAPTNPSR1HTT
SCHEMBL8373569 0.84 FDPS (0.63) FDPSALDH1A1MAPTNPSR1HTT
SCHEMBL10497561 0.84 FDPS (0.63) FDPSALDH1A1MAPTNPSR1HTT
SCHEMBL30317637 0.84 FDPS (0.63) FDPSALDH1A1MAPTNPSR1HTT

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
EP-1575964-B1 N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2009-11-11 EP disclosed