SCHEMBL3796353

SCHEMBL3796353

CCCCCCCCOCCN(CCC[Si](OC)(OC)OC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.43
LMNA P02545 1/20 0.39
CES2 O00748 2/20 0.38
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
NAAA Q02083 1/20 0.33
EPHX2 P34913 2/20 0.32
LPAR6 P43657 3/20 0.32
LPAR1 Q92633 3/20 0.32
LPAR4 Q99677 3/20 0.32
LPAR5 Q9H1C0 3/20 0.32
LPAR2 Q9HBW0 3/20 0.32
LPAR3 Q9UBY5 3/20 0.32

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
SCHEMBL1229787 0.86 ZDHHC20 (0.41) ZDHHC20CES2MEN1THRBHTT
SCHEMBL28036930 0.82 LMNA (0.36) LMNALPAR1LPAR5
SCHEMBL9194761 0.82 LMNA (0.32) LMNA
SCHEMBL5933149 0.78 TSHR (0.46) ZDHHC20CES2MEN1THRBHTT
SCHEMBL29837976 0.78 LMNA (0.39) ZDHHC20LMNACES2MEN1THRB
SCHEMBL3844670 0.77 CA12 (0.36) LMNAMAPT
SCHEMBL9452183 0.77 LMNA (0.32) LMNA
SCHEMBL23152406 0.77 LMNA (0.55) LMNACES2MEN1THRBHTT
SCHEMBL6559383 0.77 LMNA (0.55) LMNACES2MEN1THRBHTT
SCHEMBL16608923 0.76 CES2 (0.47) ZDHHC20LMNACES2MEN1THRB

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-20100092761-A1 NANOPARTICLES MERCK PATENT GESELLSCHAFT (DE) 2010-04-15 US disclosed