SCHEMBL21553597

SCHEMBL21553597

CC(C)(C)c1cc(CC(=O)ON)cc(C(C)(C)C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.50
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 4/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 3/20 0.47
MEN1 O00255 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
BLM P54132 2/20 0.47
ATM Q13315 2/20 0.47
HIF1A Q16665 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
CYP2D6 P10635 1/20 0.47
LMNA P02545 3/20 0.47
GMNN O75496 1/20 0.46
GABBR2 O75899 1/20 0.46
TP53 P04637 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL6858351 0.84 HSP90AB1 (0.59) GAAALDH1A1KMT2ATSHRMAPK1
SCHEMBL18532009 0.83 GAA (0.63) GAAALDH1A1KMT2ATSHRMAPK1
SCHEMBL206249 0.83 GAA (0.50) GAAALDH1A1KMT2ATSHRMAPK1
SCHEMBL8144482 0.83 ALDH1A1 (0.47) GAAALDH1A1KMT2ATSHRMAPK1
SCHEMBL2351313 0.81 ALDH1A1 (0.46) GAAALDH1A1KMT2ATSHRMAPK1
SCHEMBL8756117 0.81 GAA (0.51) GAAALDH1A1KMT2ATSHRMAPK1
SCHEMBL9519034 0.80 GAA (0.54) GAAALDH1A1KMT2ATSHRMAPK1
Ethylene SCHEMBL3949824 0.80 GAA (0.48) GAAALDH1A1KMT2ATSHRMAPK1
Ethylene SCHEMBL3947801 0.80 GAA (0.48) GAAALDH1A1KMT2ATSHRMAPK1
SCHEMBL13973661 0.80 TSHR (0.51) GAAALDH1A1KMT2ATSHRMAPK1

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
EP-2207522-B1 PERSONAL CARE AND HOUSEHOLD PRODUCT COMPOSITIONS COMPRISING SPECIFIC SULFUR CONTAINING STABILISER COMPOUNDS BASF SE (DE) 2019-11-06 EP disclosed