SCHEMBL9900345

SCHEMBL9900345

COc1ccccc1/C=C\C=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.61
TFEB P19484 1/20 0.61
TRPA1 O75762 1/20 0.60
KDM4E B2RXH2 2/20 0.59
CDK4 P11802 3/20 0.56
CCND1 P24385 3/20 0.56
CCNB2 O95067 1/20 0.56
CDK1 P06493 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNB3 Q8WWL7 1/20 0.56
CYP1A1 P04798 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP1B1 Q16678 2/20 0.55
NPC1 O15118 2/20 0.54
MAPT P10636 2/20 0.54
RAB9A P51151 2/20 0.54
BCHE P06276 2/20 0.54
LMNA P02545 1/20 0.54
CYP19A1 P11511 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL31004887 1.00 NFE2L2 (0.61) NFE2L2TFEBTRPA1KDM4ECDK4
SCHEMBL29393422 1.00 NFE2L2 (0.61) NFE2L2TFEBTRPA1KDM4ECDK4
SCHEMBL43264 1.00 NFE2L2 (0.61) NFE2L2TFEBTRPA1KDM4ECDK4
SCHEMBL228813 1.00 NFE2L2 (0.61) NFE2L2TFEBTRPA1KDM4ECDK4
SCHEMBL18570324 0.86 CDK4 (0.50) NFE2L2TFEBTRPA1KDM4ECDK4
SCHEMBL2119793 0.85 NFE2L2 (0.63) NFE2L2KDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL8494360 0.85 NFE2L2 (0.63) NFE2L2KDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL4019329 0.84 NFE2L2 (0.79) NFE2L2TFEBTRPA1KDM4ECYP1A1
SCHEMBL1603719 0.84 NFE2L2 (0.79) NFE2L2TFEBTRPA1KDM4ECYP1A1
SCHEMBL7915752 0.84 NFE2L2 (0.79) NFE2L2TFEBTRPA1KDM4ECYP1A1

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
US-10864188-B2 Anti-microbial composition SEPTEOS (FR) 2020-12-15 US disclosed
CN-103384519-B Antimicrobial compositions SEPTEOS公司 2019-06-14 CN disclosed
EP-2648704-B1 ANTI-MICROBIAL COMPOSITION SEPTEOS (FR) 2019-01-16 EP disclosed
US-20170000762-A1 ANTI-MICROBIAL COMPOSITION SEPTEOS (FR) 2017-01-05 US disclosed
US-9474723-B2 Anti-microbial composition SEPTEOS (FR) 2016-10-25 US disclosed
CN-103384519-A Antimicrobial compositions SEPTEOS 2013-11-06 CN disclosed
US-20130289103-A1 ANTI-MICROBIAL COMPOSITION SEPTEOS (FR) 2013-10-31 US disclosed
EP-2648704-A1 ANTI-MICROBIAL COMPOSITION Septeos (FR) 2013-10-16 EP disclosed
WO-2012076718-A1 ANTI-MICROBIAL COMPOSITION SOCIETE DE DEVELOPPEMENT SCIENTIFIQUE - SDS (FR) 2012-06-14 WO disclosed
US-7384388-B2 Styryl dyes with linker NEW YORK UNIVERSITY (US) 2008-06-10 US disclosed
US-7384388-B2 Styryl dyes with linker NEW YORK UNIVERSITY (US) 2008-06-10 US disclosed