SCHEMBL725770

SCHEMBL725770

CC(C)(C(=O)c1ccc(CCC(=O)O)cc1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.53
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
FKBP1A P62942 3/20 0.46
NR1H4 Q96RI1 2/20 0.44
EPHX2 P34913 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
POLB P06746 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
FFAR1 O14842 2/20 0.41

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
SCHEMBL8070009 0.86 ALDH1A1 (0.62) ALDH1A1TSHRMAPK1SMN1; SMN2LMNA
SCHEMBL727260 0.86 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1SMN1; SMN2GAA
SCHEMBL306032 0.83 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1SMN1; SMN2GAA
SCHEMBL307240 0.82 ALDH1A1 (0.63) ALDH1A1TSHRMAPK1SMN1; SMN2GAA
SCHEMBL51732 0.82 THRA (0.61) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL3670808 0.81 ALDH1A1 (0.62) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL10891130 0.81 SMN1; SMN2 (0.66) ALDH1A1TSHRMAPK1SMN1; SMN2GAA
SCHEMBL21753835 0.80 SMN1; SMN2 (0.64) ALDH1A1TSHRMAPK1SMN1; SMN2GAA
SCHEMBL12264019 0.80 ALDH1A1 (0.60) ALDH1A1TSHRMAPK1SMN1; SMN2GAA
SCHEMBL2918327 0.80 ALDH1A1 (0.60) ALDH1A1TSHRMAPK1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
EP-2585431-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-01 EP disclosed
CN-102958909-A metal-free bleaching compositions BASF S E 2013-03-06 CN disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed