SCHEMBL29617519

SCHEMBL29617519

O=S(=O)(O)Oc1ccc(C=Cc2ccccc2)c(C=Cc2ccccc2)c1C=Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.40
TRPA1 O75762 2/20 0.40
LMNA P02545 1/20 0.39
PPARG P37231 1/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1B1 Q16678 2/20 0.39
CISD1 Q9NZ45 1/20 0.39
PELI1 Q96FA3 1/20 0.36
TUBB1 Q9H4B7 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36

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
SCHEMBL334593 1.00 NFE2L2 (0.40) NFE2L2TRPA1LMNAPPARGCYP1A1
SCHEMBL334592 1.00 NFE2L2 (0.40) NFE2L2TRPA1LMNAPPARGCYP1A1
Ammonia Solution, Strong SCHEMBL374848 0.98 NFE2L2 (0.39) NFE2L2TRPA1LMNAPPARGCYP1A1
Ammonia Solution, Strong SCHEMBL3689602 0.98 NFE2L2 (0.39) NFE2L2TRPA1LMNAPPARGCYP1A1
Ether SCHEMBL2161041 0.91 CHAT (0.37) NFE2L2TRPA1LMNAPPARGCYP1A1
Ether SCHEMBL2090104 0.89 CHAT (0.36) NFE2L2TRPA1PPARGCYP1A1CYP1A2
SCHEMBL2231182 0.88 NFE2L2 (0.47) NFE2L2TRPA1LMNAPPARGCISD1
SCHEMBL30579740 0.88 NFE2L2 (0.47) NFE2L2TRPA1LMNAPPARGCISD1
SCHEMBL2255765 0.88 NFE2L2 (0.47) NFE2L2TRPA1LMNAPPARGCISD1
Ammonia Solution, Strong SCHEMBL2482264 0.86 NFE2L2 (0.46) NFE2L2TRPA1LMNAPPARGCISD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4422397-A1 ORGANIC SALTS FOR AGROCHEMICAL FORMULATIONS Syngenta Crop Protection AG (CH) 2024-09-04 EP disclosed
WO-2023072553-A1 ORGANIC SALTS FOR AGROCHEMICAL FORMULATIONS SYNGENTA CROP PROTECTION AG (CH) 2023-05-04 WO disclosed
WO-2022125894-A1 PROTEASE INHIBITORS AND THEIR USE TO PROVIDE DISEASE RESISTANCE IN PLANTS AND AS ANTIMICROBIALS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2022-06-16 WO disclosed
WO-2022109163-A1 BIODEGRADABLE, CONTROLLED RELEASE MICROCAPSULES ENCAPSYS, LLC (US) 2022-05-27 WO disclosed