SCHEMBL987437

SCHEMBL987437

CC1(C)CC(OC(=O)CC(O)(CC(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)O)CC(C)(C)N1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.34
NPC1L1 Q9UHC9 2/20 0.33
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 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
SCHEMBL985035 0.96 GAA (0.43) GAAALDH1A1NPC1L1KDM4E
SCHEMBL987428 0.88 GAA (0.43) GAANPC1L1
Citric Acid SCHEMBL986566 0.85 GAA (0.40) GAAALDH1A1NPC1L1KDM4E
Citric Acid SCHEMBL986568 0.85 GAA (0.40) GAAALDH1A1NPC1L1KDM4E
Citric Acid SCHEMBL989550 0.84 GAA (0.43) GAAALDH1A1KDM4EKMT2A
Citric Acid SCHEMBL989548 0.84 GAA (0.43) GAAALDH1A1KDM4EKMT2A
SCHEMBL987583 0.80 TSHR (0.34) GAAALDH1A1KDM4EKMT2A
SCHEMBL987217 0.80 GAA (0.40) GAAALDH1A1HTTKDM4EKMT2A
SCHEMBL563911 0.78 GAA (0.51) GAAHTTKDM4EKMT2A
SCHEMBL39117 0.78 GAA (0.51) GAANPC1L1HTTKDM4EKMT2A

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-7862746-B2 Stabilization of natural composites BASF SE. (DE) 2011-01-04 US claimed
WO-2006087269-A1 STABILIZATION OF NATURAL COMPOSITES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-08-24 WO claimed
WO-2006087269-A1 STABILIZATION OF NATURAL COMPOSITES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-08-24 WO disclosed