SCHEMBL9900653

SCHEMBL9900653

[CH]/C=C/c1ccccc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 5/20 0.62
▸ TRPA1 O75762 1/20 0.62
▸ TFEB P19484 1/20 0.58
▸ CYP1A1 P04798 3/20 0.56
▸ CYP1A2 P05177 3/20 0.56
▸ CYP1B1 Q16678 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ CYP19A1 P11511 1/20 0.55
▸ MAPT P10636 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ BCHE P06276 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALOX5 P09917 1/20 0.50
▸ PTGS1 P23219 1/20 0.50

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
SCHEMBL1603719 0.86 NFE2L2 (0.79) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL4019329 0.86 NFE2L2 (0.79) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL7915752 0.86 NFE2L2 (0.79) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL1883472 0.80 NFE2L2 (0.64) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL16933894 0.80 NFE2L2 (0.64) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL28137445 0.80 NFE2L2 (0.64) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL29580852 0.80 NFE2L2 (0.64) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL4461398 0.80 NFE2L2 (0.64) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL1883475 0.80 NFE2L2 (0.64) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL2095404 0.78 NFE2L2 (0.62) NFE2L2TRPA1TFEBCYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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