SCHEMBL727136

SCHEMBL727136

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
TSHR P16473 2/20 0.68
MAPK1 P28482 1/20 0.68
MGLL Q99685 1/20 0.51
PHGDH O43175 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 4/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
MPI P34949 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
AKR1C3 P42330 1/20 0.45
GAA P10253 1/20 0.43

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
SCHEMBL2917604 0.95 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TSHRMAPK1MGLL
SCHEMBL10941442 0.87 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2TSHRMAPK1MGLL
SCHEMBL10940747 0.87 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2TSHRMAPK1PHGDH
SCHEMBL701448 0.85 MAPK1 (0.70) ALDH1A1SMN1; SMN2TSHRMAPK1NPC1
SCHEMBL27630183 0.85 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2TSHRMAPK1NPC1
SCHEMBL9291268 0.85 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2TSHRMAPK1MGLL
SCHEMBL9680425 0.84 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2TSHRMAPK1NPC1
SCHEMBL2705294 0.84 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2TSHRMAPK1MGLL
SCHEMBL2703478 0.84 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2TSHRMAPK1MGLL
SCHEMBL17265632 0.84 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2TSHRMAPK1NPC1

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 5 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
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed