SCHEMBL5689658

SCHEMBL5689658

CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C.CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.73
CYP3A4 P08684 2/20 0.73
ATM Q13315 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
MAPT P10636 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
DGKA P23743 1/20 0.49
RECQL P46063 1/20 0.48
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
KDM4E B2RXH2 1/20 0.44
DUSP3 P51452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA2 P00918 1/20 0.44
PLA2G2A P14555 1/20 0.43

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
SCHEMBL10936889 1.00 TSHR (0.73) TSHRCYP3A4ATMTDP1MAPT
SCHEMBL30572458 0.99 TSHR (0.71) TSHRCYP3A4ATMTDP1MAPT
SCHEMBL30578396 0.99 TSHR (0.71) TSHRCYP3A4ATMTDP1MAPT
SCHEMBL28060401 0.94 TSHR (0.82) TSHRCYP3A4ATMTDP1MAPT
SCHEMBL19025389 0.94 TSHR (0.82) TSHRCYP3A4ATMTDP1MAPT
SCHEMBL9934514 0.94 TSHR (0.82) TSHRCYP3A4ATMTDP1MAPT
SCHEMBL7721991 0.94 TSHR (0.82) TSHRCYP3A4ATMTDP1MAPT
SCHEMBL30387910 0.93 TSHR (0.79) TSHRCYP3A4ATMTDP1MAPT
SCHEMBL8569244 0.93 TSHR (0.84) TSHRCYP3A4ATMTDP1MAPT
SCHEMBL13571597 0.92 TSHR (0.82) TSHRCYP3A4ATMTDP1MAPT

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-1654197-A1 CARRIER BASED ON GRANULES PRODUCED FROM PYROGENICALLY PREPARED SILICON DIOXIDES Degussa AG (DE) 2006-05-10 EP disclosed
WO-2005016823-A1 CARRIER BASED ON GRANULES PRODUCED FROM PYROGENICALLY PREPARED SILICON DIOXIDES DEGUSSA AG (DE) 2005-02-24 WO disclosed