SCHEMBL2863909

SCHEMBL2863909

CC(=O)ON1C(C)(C)CC(=O)CC1(C)C.CC1(C)CC(=O)CC(C)(C)N1O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 1/20 0.32
HSD17B10 Q99714 1/20 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
SCHEMBL986791 0.93 GAA (0.54) GAAKMT2AMEN1TSHRALDH1A1
SCHEMBL14237283 0.83 GAA (0.47) GAAKMT2AMEN1TSHRALDH1A1
Acetic Acid SCHEMBL986789 0.81 KMT2A (0.40) GAAKMT2AMEN1MAPTALDH1A1
Acetic Acid SCHEMBL2863906 0.81 KMT2A (0.40) GAAKMT2AMEN1MAPTALDH1A1
SCHEMBL85990 0.80 GAA (0.38) GAAKMT2AMEN1MAPTALDH1A1
Hydrochloric Acid SCHEMBL7516042 0.78 GAA (0.37) GAAKMT2AMEN1MAPTALDH1A1
Ethylene SCHEMBL3939551 0.76 GAA (0.36) GAAKMT2AMEN1MAPTALDH1A1
SCHEMBL6376106 0.75 GAA (0.33) GAAKMT2AMEN1MAPT
Acetic Acid SCHEMBL2854448 0.73 KMT2A (0.36) GAAKMT2AMEN1MAPTALDH1A1
Acetic Acid SCHEMBL27533996 0.73 KMT2A (0.36) GAAKMT2AMEN1MAPTALDH1A1

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
EP-1499286-B1 STABILIZED BODY CARE PRODUCTS AND HOUSEHOLD PRODUCTS BASF SE (DE) 2010-04-07 EP claimed
EP-1680541-A2 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS Ciba SC Holding AG (CH) 2006-07-19 EP claimed
WO-2005042828-A2 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-05-12 WO claimed