SCHEMBL2369737

SCHEMBL2369737

CCC(C(=O)N(C)C(=O)O)c1ccccc1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 1/20 0.40
GBA1 P04062 2/20 0.39
HPGD P15428 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
PGR P06401 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
HSP90AA1 P07900 1/20 0.38
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
LMNA P02545 1/20 0.36
KMT2A Q03164 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
SCHEMBL4156023 0.87 NLRP3 (0.35) NPC1RAB9ATSHRHPGDLMNA
SCHEMBL19946640 0.80 CRHBP (0.44) TSHRGBA1HPGDCRHBPCRHR2
SCHEMBL28139483 0.71 NLRP3 (0.40) TSHRGBA1CRHBPCRHR2
Bicarbonate SCHEMBL9248270 0.71 GABRA1 (0.56) TSHRHPGDLMNAKMT2A
SCHEMBL922024 0.70 KDM4E (0.35) CRHBPCRHR2HSP90AA1KMT2A
Hydrogen Peroxide SCHEMBL35519 0.69 GABRA1 (0.65) TSHRHPGDLMNAKMT2A
Hydrogen Peroxide SCHEMBL30120583 0.69 GABRA1 (0.65) TSHRHPGDLMNAKMT2A
Hydrogen Peroxide SCHEMBL99126 0.69 GABRA1 (0.65) TSHRHPGDLMNAKMT2A
Hydrogen Peroxide SCHEMBL20593356 0.69 GABRA1 (0.65) TSHRHPGDLMNAKMT2A
Hydrogen Peroxide SCHEMBL29394264 0.69 GABRA1 (0.65) TSHRHPGDLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4723893-A2 COMPOSITIONS AND METHODS TO MITIGATE PHYTOTOXIC EFFECTS OF AGRICHEMICALS Ascribe Bioscience Inc. (US) 2026-04-15 EP claimed
WO-2024254180-A2 COMPOSITIONS AND METHODS TO MITIGATE PHYTOTOXIC EFFECTS OF AGRICHEMICALS Ascribe Bioscience Inc. (US) 2024-12-12 WO claimed
EP-3274343-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES Syngenta Participations AG (CH) 2018-01-31 EP disclosed
EP-3087052-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2016-11-02 EP disclosed
WO-2016156085-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-10-06 WO disclosed
WO-2015097091-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-07-02 WO disclosed
EP-2643302-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2013-10-02 EP disclosed
EP-2539335-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES Syngenta Participations AG (CH) 2013-01-02 EP disclosed
WO-2012069366-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
WO-2011104089-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-01 WO disclosed
EP-1601654-A1 HETEROCYCLIC AMIDES, METHOD FOR THE PRODUCTION THEREOF, SUBSTANCES CONTAINING SAID HETEROCYCLIC AMIDES, AND USE THEREOF AS PESTICIDES Bayer CropScience GmbH (DE) 2005-12-07 EP disclosed
WO-2004076421-A1 HETEROCYCLIC AMIDES, METHOD FOR THE PRODUCTION THEREOF, SUBSTANCES CONTAINING SAID HETEROCYCLIC AMIDES, AND USE THEREOF AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2004-09-10 WO disclosed
EP-1339281-A1 OIL-IN-WATER EMULSION FORMULATION OF INSECTICIDES Bayer CropScience S.A. (FR) 2003-09-03 EP disclosed
WO-2002043488-A1 OIL-IN-WATER EMULSION FORMULATION OF INSECTICIDES BAYER CROPSCIENCE S.A. (DE) 2002-06-06 WO disclosed