SCHEMBL20100528

SCHEMBL20100528

C=C(C)C(=O)OCCN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.38
GAA P10253 4/20 0.38
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL14597121 0.84 MAPK1 (0.49) ALDH1A1TSHRL3MBTL1TDP1MAPT
SCHEMBL22417637 0.83 HTT (0.35) SLC2A1ALDH1A1TSHRTDP1MAPT
SCHEMBL20099730 0.82 SLC2A1 (0.44) SLC2A1ALDH1A1TSHRL3MBTL1TDP1
SCHEMBL3181962 0.82 CA1 (0.43) ALDH1A1TSHRTDP1MAPTHTT
SCHEMBL20100530 0.81 HTT (0.34) SLC2A1ALDH1A1TSHRTDP1MAPT
SCHEMBL1011170 0.80 POLB (0.43) TSHRL3MBTL1TDP1CYP1A2HTT
SCHEMBL22415875 0.80 L3MBTL1 (0.42) SLC2A1ALDH1A1TSHRL3MBTL1TDP1
SCHEMBL25083558 0.79 BCHE (0.44) TSHRTDP1HTTPOLBAPEX1
SCHEMBL278599 0.78 PHLPP2 (0.48) ALDH1A1TSHRL3MBTL1TDP1MAPT
SCHEMBL278891 0.78 CYP2A6 (0.41) ALDH1A1TSHRTDP1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339815-A1 LEUCO POLYMERS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS MILLIKEN & COMPANY 2020-10-29 US disclosed
EP-3535371-B1 LEUCO POLYMERS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS PROCTER & GAMBLE (US) 2020-09-09 EP disclosed
US-10711139-B2 Leuco polymers as bluing agents in laundry care compositions MILLIKEN & COMPANY (US) 2020-07-14 US disclosed
US-20180119059-A1 LEUCO POLYMERS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2018-05-03 US disclosed
US-20180118945-A1 LEUCO POLYMERS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS MILLIKEN & COMPANY 2018-05-03 US disclosed
US-20180119059-A1 LEUCO POLYMERS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2018-05-03 US disclosed
US-20180118945-A1 LEUCO POLYMERS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS MILLIKEN & COMPANY 2018-05-03 US disclosed