SCHEMBL725588

SCHEMBL725588

COC1(c2ccc(C)cc2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRND Q07001 1/20 0.33
MAOB P27338 4/20 0.32
MAOA P21397 2/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
OPRM1 P35372 1/20 0.30

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
SCHEMBL2400193 0.81 SLC6A4 (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL726270 0.81 TAAR1 (0.36) ALDH1A1
SCHEMBL2705448 0.81 LPL (0.36) ACHECHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4429077 0.79 ALDH1A1 (0.35) TDP1ALDH1A1TSHR
SCHEMBL727474 0.78 CYP1A1 (0.35) SLC6A3ALDH1A1
SCHEMBL19315862 0.76
SCHEMBL12535871 0.76 IDO1 (0.44)
SCHEMBL3672322 0.76 LMNA (0.31)
SCHEMBL725974 0.75 PTGS2 (0.42)
SCHEMBL14409353 0.75 CHRNA1 (0.35) ACHECHRNA1CHRNGCHRNB1CHRNB2

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 11 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
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