SCHEMBL3969089

SCHEMBL3969089

CCO[PH](OCC)(OCC)OC(=O)O[PH](OCC)(OCC)OCC.[KH].[KH]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SOAT1 P35610 1/20 0.38
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.32
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL3138658 0.74 ALDH1A1 (0.35) ALDH1A1SOAT1LMNAHSD17B10TSHR
SCHEMBL31448947 0.63
SCHEMBL13177331 0.61 FFAR3 (0.40) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL8530828 0.61 FFAR3 (0.40) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL19598979 0.59 ALDH1A1 (0.81) ALDH1A1SOAT1LMNAHSD17B10TSHR
SCHEMBL1718009 0.59 ALDH1A1 (0.81) ALDH1A1SOAT1LMNAHSD17B10TSHR
SCHEMBL14479589 0.59
SCHEMBL1958756 0.59 ALDH1A1 (1.00) ALDH1A1SOAT1LMNAHSD17B10TSHR
SCHEMBL3673 0.59
SCHEMBL9802069 0.59

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-2054375-A2 PROCESS OF PREPARING A GAMMA-AMINO ACID Merck Generics (UK) Limited (GB) 2009-05-06 EP disclosed
WO-2008007145-A2 PROCESS OF PREPARING A GAMMA-AMINO ACID GENERICS [UK] LIMITED (GB) 2008-01-17 WO disclosed