SCHEMBL9975676

SCHEMBL9975676

COC(C(C)C)C(C)(C)COC(=O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
ALOX15 P16050 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
SCHEMBL14430386 1.00 ALDH1A1 (0.33) ALDH1A1POLBMAPTGRIN2DGRIN3B
SCHEMBL29796685 0.85 ALDH1A1 (0.33) ALDH1A1POLBMAPTGRIN2DGRIN3B
SCHEMBL43993 0.85 ALDH1A1 (0.33) ALDH1A1POLBMAPTGRIN2DGRIN3B
SCHEMBL11315933 0.81 TSHR (0.35) ALDH1A1POLBMAPT
SCHEMBL11221409 0.81 ALDH1A1 (0.32) ALDH1A1POLBMAPT
SCHEMBL30038608 0.81 ALDH1A1 (0.32) ALDH1A1POLBMAPT
SCHEMBL2945876 0.80 ALDH1A1 (0.31) ALDH1A1POLBMAPT
SCHEMBL9718333 0.78 LMNA (0.39) ALDH1A1POLBMAPT
SCHEMBL11570327 0.76 TSHR (0.40) ALDH1A1
SCHEMBL4445941 0.76 LMNA (0.36) ALDH1A1ALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139736-B2 Surface-modified silicic acid semi-gels EVONIK DEGUSSA GMBH (DE) 2015-09-22 US disclosed
US-20120156470-A1 SURFACE-MODIFIED SILICIC ACID SEMI-GELS EVONIK DEGUSSA GMBH (DE) 2012-06-21 US disclosed
US-8038787-B2 Coating formulation having improved rheological properties EVONIK DEGUSSA GMBH (DE) 2011-10-18 US disclosed
EP-1607421-B1 Painting composition having improved rheological characteristics DEGUSSA (DE) 2007-08-29 EP disclosed