SCHEMBL727037

SCHEMBL727037

COC1(c2ccccc2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PAX8 Q06710 1/20 0.34
MCL1 Q07820 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34
CA4 P22748 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
OPRM1 P35372 4/20 0.33
OPRL1 P41146 3/20 0.33
OPRK1 P41145 2/20 0.33
OPRD1 P41143 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
LPL P06858 1/20 0.31

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
SCHEMBL1553584 0.83 ALDH1A1 (0.37) ALDH1A1HPGD
SCHEMBL725588 0.80 ACHE (0.36) ALDH1A1OPRM1KDM4E
SCHEMBL2705448 0.78 LPL (0.36) LPLLIPGHCAR2HCAR3
SCHEMBL726270 0.78 TAAR1 (0.36) ALDH1A1
SCHEMBL2400193 0.78 SLC6A4 (0.34) KMT2ALMNAOPRM1
SCHEMBL20543240 0.77 LMNA (0.36) MEN1KMT2ALMNAOPRM1OPRL1
SCHEMBL3685323 0.77 KCNH2 (0.36) LPLLIPG
SCHEMBL4429077 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL17265633 0.75 TSHR (0.37) ALDH1A1LMNAHPGD
SCHEMBL727474 0.75 CYP1A1 (0.35) ALDH1A1CYP1A2

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