SCHEMBL727260

SCHEMBL727260

COC(=O)CCc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
FKBP1A P62942 3/20 0.47
HRH3 Q9Y5N1 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.41
LIPE Q05469 1/20 0.41
GLA P06280 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL725770 0.86 ALDH1A1 (0.59) ALDH1A1TSHRMAPK1SMN1; SMN2FKBP1A
SCHEMBL8070009 0.83 ALDH1A1 (0.62) ALDH1A1TSHRMAPK1SMN1; SMN2FKBP1A
SCHEMBL6436860 0.82 SMN1; SMN2 (0.62) ALDH1A1TSHRMAPK1SMN1; SMN2FKBP1A
SCHEMBL3677741 0.82 ALDH1A1 (0.60) ALDH1A1TSHRMAPK1SMN1; SMN2FKBP1A
SCHEMBL306032 0.80 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1SMN1; SMN2FKBP1A
SCHEMBL12264019 0.79 ALDH1A1 (0.60) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL727076 0.79 ALDH1A1 (0.64) ALDH1A1TSHRMAPK1SMN1; SMN2FKBP1A
SCHEMBL307240 0.79 ALDH1A1 (0.63) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL51732 0.79 THRA (0.61) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL3670808 0.78 ALDH1A1 (0.62) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3

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 6 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
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
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