SCHEMBL2177433

SCHEMBL2177433

CC1(C)Cc2ccccc2C1n1cncc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP11B2 P19099 2/20 0.42
GCK P35557 1/20 0.37
IDO1 P14902 8/20 0.35
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HBB P68871 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1B P35368 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
RBP4 P02753 1/20 0.33
CRHBP P24387 1/20 0.33

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
SCHEMBL9804895 0.90 CYP11B2 (0.42) ALDH1A1TDP1CYP11B2GCKIDO1
SCHEMBL10644394 0.89 CYP11B2 (0.41) ALDH1A1TDP1CYP11B2GCKIDO1
SCHEMBL10648754 0.88 CYP11B2 (0.41) ALDH1A1TDP1CYP11B2IDO1CYP3A4
SCHEMBL9493756 0.87 CYP11B2 (0.47) ALDH1A1TDP1CYP11B2GCKIDO1
SCHEMBL29408788 0.87 CYP11B2 (0.47) ALDH1A1TDP1CYP11B2GCKIDO1
SCHEMBL10644026 0.87 CYP11B2 (0.40) ALDH1A1TDP1CYP11B2GCKIDO1
SCHEMBL68341 0.87 CYP11B2 (0.47) ALDH1A1TDP1CYP11B2GCKIDO1
SCHEMBL9496956 0.87 CYP11B2 (0.47) ALDH1A1TDP1CYP11B2GCKIDO1
SCHEMBL3398996 0.84 CYP11B2 (0.49) ALDH1A1TDP1CYP11B2IDO1CYP3A4
SCHEMBL2823900 0.84 IDO1 (0.44) CYP11B2IDO1HPGD

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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533633-B1 FUNGICIDAL MIXTURES LANXESS DISTRIB GMBH (DE) 2017-02-01 EP claimed
EP-2696685-A1 TERNARY FUNGICIDAL COMPOSITIONS COMPRISING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE Bayer Intellectual Property GmbH (DE) 2014-02-19 EP claimed
EP-2515649-A2 ACTIVE COMPOUND COMBINATIONS Bayer Intellectual Property GmbH (DE) 2012-10-31 EP claimed
WO-2012139886-A1 TERNARY FUNGICIDAL COMPOSITIONS COMPRISING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE BAYER CROPSCIENCE AG (DE) 2012-10-18 WO claimed
CN-102573479-A 3-[1-(3-haloalkyl)-triazolyl]-phenyl-sulfide derivatives for use as acaricides and insecticides BAYER CROPSCIENCE AG 2012-07-11 CN claimed
CN-102471291-A 3-triazolylphenyl-substituted sulfide derivatives for use as acaricides and insecticides BAYER CROPSCIENCE AG 2012-05-23 CN claimed
EP-1931200-A1 FUNGICIDE COMPOSITION COMPRISING AN ARYLAMIDINE DERIVATIVE AND TWO KNOWN FUNGICIDE COMPOUNDS Bayer CropScience AG (DE) 2008-06-18 EP claimed
WO-2007031507-A1 FUNGICIDE COMPOSITION COMPRISING AN ARYLAMIDINE DERIVATIVE AND TWO KNOWN FUNGICIDE COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-03-22 WO claimed
EP-0287512-A2 Plant growth regulators CIBA-GEIGY AG (CH) 1988-10-19 EP claimed
WO-2021099079-A9 SOLVATES OF ABSCISIC ACID AND LIQUID COMPOSITIONS CONTAINING ABSCISIC ACID CLARIANT INTERNATIONAL LTD (CH) 2021-08-12 WO disclosed
WO-2021099079-A1 SOLVATES OF ABSCISIC ACID AND LIQUID COMPOSITIONS CONTAINING ABSCISIC ACID CLARIANT INTERNATIONAL LTD (CH) 2021-05-27 WO disclosed
EP-3126335-B1 N-(1-(HETERO)ARYL-1H-PYRAZOL-4-YL)-(HETERO)ARYLAMIDE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2020-07-08 EP disclosed
EP-3484877-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2020-07-01 EP disclosed
EP-3227274-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2019-07-03 EP disclosed
EP-1638974-A2 TRIAZOLOPYRIMIDINES Bayer CropScience AG (DE) 2006-03-29 EP disclosed
WO-2005105748-A1 4-HALOGENALKYLPYRIDIN-3-SULPHONAMIDES, METHOD FOR PRODUCING SAME, AGENTS CONTAINING SAME, AND USE THEREOF AS AGENTS FOR PEST CONTROL BAYER CROPSCIENCE GMBH (DE) 2005-11-10 WO disclosed
WO-2005005412-A1 3-PYRIDYLCARBOXAMIDE DERIVATIVES AS PESTICIDAL AGENTS BAYER CROPSCIENCE GMBH (DE) 2005-01-20 WO disclosed
WO-2004113341-A2 FUNGICIDAL TRIAZOLOPYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-29 WO disclosed
CN-1377338-A Insoluble lewis promoters for nickel-catalysed hydrocyanation of monoolefins DU PONT (US) 2002-10-30 CN disclosed
EP-0277384-A2 1H-imidazole-5-carboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-08-10 EP disclosed