SCHEMBL984989

SCHEMBL984989

CC1(C)CC(O)CC(C)(C)N1OC(=O)CC(O)(CC(=O)ON1C(C)(C)CC(O)CC1(C)C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7038092 0.96 ALDH1A1 (0.42) ALDH1A1TSHRKMT2A
SCHEMBL3266671 0.88 KMT2A (0.31) TSHRKMT2AMEN1GAA
SCHEMBL7531334 0.83 ALDH1A1 (0.41) ALDH1A1TSHRKMT2A
SCHEMBL1232469 0.83 KMT2A (0.52) ALDH1A1TSHRKMT2AMEN1GAA
SCHEMBL1232474 0.82 SMN1; SMN2 (0.36) TSHRKMT2AMEN1GAA
SCHEMBL986292 0.80 TSHR (0.49) ALDH1A1TSHRKMT2AMEN1GAA
SCHEMBL1232092 0.79 ALDH1A1 (0.37) ALDH1A1TSHRKMT2A
SCHEMBL1231035 0.79 GAA (0.43) ALDH1A1KMT2AMEN1GAA
SCHEMBL987164 0.78 ALDH1A1 (0.44) ALDH1A1TSHR
Citric Acid SCHEMBL3803295 0.76 ALDH1A1 (0.40) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183821-A1 Stabilization of natural composites CIBA CORPORATION 2006-08-17 US claimed
US-7862746-B2 Stabilization of natural composites BASF SE. (DE) 2011-01-04 US disclosed
US-20060183821-A1 Stabilization of natural composites CIBA CORPORATION 2006-08-17 US disclosed