SCHEMBL7753432

SCHEMBL7753432

CCN(CC)CCOc1ccc(C(O)(Cc2ccccc2)c2ccc(C)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.79
EBP Q15125 4/20 0.79
CYP2D6 P10635 3/20 0.58
HTT P42858 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
LTA4H P09960 1/20 0.58
CYP2C19 P33261 1/20 0.58
ESR1 P03372 4/20 0.48
ESR2 Q92731 2/20 0.48
KCNH2 Q12809 3/20 0.48
KMT2A Q03164 3/20 0.48
DRD3 P35462 3/20 0.48
CHRM2 P08172 2/20 0.48
ADRA2A P08913 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
CHRM1 P11229 2/20 0.48
PTGS1 P23219 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48

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
SCHEMBL16910242 0.94 SIGMAR1 (0.69) SIGMAR1EBPCYP2D6HTTCYP1A2
SCHEMBL4310502 0.89 EBP (0.81) SIGMAR1EBPCYP2D6HTTCYP1A2
Triparanol SCHEMBL133384 0.88 EBP (1.00) SIGMAR1EBPCYP2D6HTTCYP1A2
SCHEMBL330094 0.87 SIGMAR1 (0.67) SIGMAR1EBPCYP2D6HTTCYP1A2
SCHEMBL10356744 0.82 CYP2D6 (0.58) SIGMAR1EBPCYP2D6HTTCYP1A2
Triparanol SCHEMBL5488333 0.82 EBP (0.86) SIGMAR1EBPCYP2D6HTTCYP1A2
SCHEMBL27944824 0.80 CYP2D6 (0.56) SIGMAR1EBPCYP2D6HTTCYP1A2
SCHEMBL11684281 0.79 CYP1A2 (0.66) CYP2D6HTTCYP1A2CYP2C9LTA4H
SCHEMBL8707174 0.78 EBP (0.56) SIGMAR1EBPCYP2D6HTTCYP1A2
SCHEMBL3420518 0.78 EBP (0.64) SIGMAR1EBPCYP2D6HTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073752-A1 PROTEIN WITH THE AMINO ACID SEQUENCE OF DELTA 7 STEROL REDUCTASE,ISOLATED cDNA MOLECULE CODING FOR SAID PROTEIN, RECOMBINANT DNA VECTOR AND BIOLOGICALLY ACTIVECOMPOSITIONS CONTAINING SAID PROTEIN OR SAID cDNA MOLECULE Glossmann, Hartmut (DE) 2001-02-07 EP disclosed
WO-1999013086-A1 PROTEIN WITH THE AMINO ACID SEQUENCE OF Δ7 STEROL REDUCTASE, ISOLATED cDNA MOLECULE CODING FOR SAID PROTEIN, RECOMBINANT DNA VECTOR AND BIOLOGICALLY ACTIVE COMPOSITIONS CONTAINING SAID PROTEIN OR SAID cDNA MOLECULE GLOSSMANN HARTMUT (DE) 1999-03-18 WO disclosed