SCHEMBL1628523

SCHEMBL1628523

CC(C)(C)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(O)COc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.43
▸ ADRB2 P07550 2/20 0.42
▸ ADRB1 P08588 2/20 0.42
▸ ADRB3 P13945 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ ALOX15 P16050 1/20 0.40
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PLA2G4B P0C869 1/20 0.37

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
SCHEMBL1630189 1.00 CYP2D6 (0.43) CYP2D6ADRB2ADRB1ADRB3CYP1A2
SCHEMBL15870309 0.98 CYP2D6 (0.45) CYP2D6ADRB2ADRB1ADRB3CYP1A2
SCHEMBL15870315 0.93 AR (0.39) CYP2D6ADRB2ADRB1ADRB3CYP1A2
SCHEMBL1628870 0.91 AR (0.38) CYP2D6ADRB2ADRB1ADRB3CYP1A2
SCHEMBL12222349 0.81 ADRB2 (0.46) CYP2D6ADRB2ADRB1ADRB3CYP1A2
SCHEMBL1628525 0.77 PLA2G2A (0.45) ADRB2ADRB1ADRB3CYP1A2ALOX15
SCHEMBL1628873 0.77 PLA2G2A (0.45) ADRB2ADRB1ADRB3CYP1A2ALOX15
SCHEMBL12222339 0.77 FFAR1 (0.46) ADRB2ADRB1ADRB3CYP1A2ALOX15
SCHEMBL12222354 0.76 PLA2G2A (0.46) ADRB2ADRB1ADRB3CYP1A2ALOX15
SCHEMBL12978498 0.74 LMNA (0.45) CYP2D6ADRB2ADRB1ADRB3LMNA

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
US-20140194025-A1 Production of Highly Concentrated Solutions of Self-Assembling Proteins FREUDENBERG FORSCHUNGSDIENSTE KG (DE) 2014-07-10 — — US disclosed
US-20120085262-A1 Production of Highly Concentrated Solutions of Self-Assembling Proteins FREUDENBERG FORSCHUNGSDIENSTE KG (DE) 2012-04-12 — — US disclosed
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