SCHEMBL18155249

SCHEMBL18155249

CCC(COC(=O)C(C)CCC(C)C(=O)OCCO)(COC(=O)C(C)CCC(C)C(=O)OCCOC(=O)C(C)CCC(C)C(=O)OCCO)COC(=O)C(C)CCC(C)C(=O)OCCOC(=O)C(C)CCC(C)C(=O)OCC(CC)(COC(=O)C(C)CCC(C)C(=O)OCCOC(=O)C(C)CCC(C)C(=O)OCCO)COC(=O)C(C)CCC(C)C(=O)OCCOC(=O)C(C)CCC(C)C(=O)OCCO

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
ACHE P22303 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL8208714 0.80 SMN1; SMN2 (0.39) THRBALDH1A1TP53CYP3A4MAPK1
SCHEMBL18155321 0.80 ACHE (0.35) ACHEALDH1A1
SCHEMBL9225102 0.77 CA1 (0.41) THRBALDH1A1CYP3A4MAPK1
SCHEMBL2531270 0.76 ACHE (0.41) ACHEALDH1A1CYP3A4SMN1; SMN2
SCHEMBL8218550 0.76 THRB (0.38) THRBMAPK1HIF1A
SCHEMBL17640842 0.76 CYP1A2 (0.33) THRB
SCHEMBL12893358 0.76 TSHR (0.38) ACHEALDH1A1
SCHEMBL14444688 0.75 CA1 (0.47)
SCHEMBL13668222 0.74 THRB (0.41) THRBACHEALDH1A1TP53CYP3A4
SCHEMBL2528932 0.73 ACHE (0.47) THRBACHEALDH1A1CYP3A4MAPK1

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-9469737-B2 Robust polymeric membrane PALL CORPORATION (US) 2016-10-18 US disclosed