SCHEMBL6562857

SCHEMBL6562857

C=CC(=O)OC(C)(C)C.C=CC(=O)OC(C)CC.C=CC(=O)OCCCCC.C=CC(=O)OCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
HCAR2 Q8TDS4 2/20 0.40
ATM Q13315 1/20 0.36
THRB P10828 1/20 0.36
NAAA Q02083 1/20 0.36
MAPT P10636 1/20 0.35
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL30038460 0.88 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL20261906 0.88 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL25279157 0.87 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL28057272 0.85 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL6348669 0.82 TSHR (0.76) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL17868882 0.82 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL31405830 0.81 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL7789531 0.81 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL8505774 0.81 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL30673376 0.80 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4HCAR2

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-1092736-B1 Multiphase structured polymer particles, method of manufacturing same, and uses thereof KURARAY CO (JP) 2004-01-07 EP disclosed