SCHEMBL852429

SCHEMBL852429

CCCN(c1ccccc1-c1ccccc1C)P(=O)(O)S

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
GPBAR1 Q8TDU6 5/20 0.34
KCNA5 P22460 3/20 0.33
PKM P14618 1/20 0.33
GLA P06280 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KCNN4 O15554 2/20 0.32
CYP3A4 P08684 2/20 0.32
LMNA P02545 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL394801 0.73 KCNA5 (0.47) ESR1ALDH1A1TP53KCNA5GLA
SCHEMBL28562906 0.72 GPBAR1 (0.37) GPBAR1
SCHEMBL7740415 0.69 GPBAR1 (0.35) GPBAR1RAB9ACYP3A4LMNA
SCHEMBL2847873 0.67 GPBAR1 (0.35) TP53GPBAR1LMNA
SCHEMBL10437517 0.66 CYP3A4 (0.38) ALDH1A1RAB9ANPSR1CYP3A4LMNA
Ammonia Solution, Strong SCHEMBL842431 0.63 ACHE (0.60) ALDH1A1RAB9ACYP3A4
SCHEMBL14403260 0.63 KMT2A (0.53) ALDH1A1TP53GPBAR1RAB9ALMNA
SCHEMBL7740492 0.63 MYC (0.33) GPBAR1RAB9ACYP3A4LMNA
SCHEMBL3965515 0.63 ALDH1A1 (0.44) ALDH1A1TP53GPBAR1RAB9AL3MBTL1
SCHEMBL15605366 0.63 TSHR (0.41) ALDH1A1GPBAR1RAB9ACYP3A4

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 427 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-2533633-A2 FUNGICIDAL MIXTURES LANXESS Distribution GmbH (DE) 2012-12-19 EP claimed
WO-2011095492-A2 FUNGICIDAL MIXTURES LANXESS DISTRIBUTION GMBH (DE) 2011-08-11 WO claimed
EP-2315522-A2 FORMATE-CONTAINING FUNGICIDE MIXTURES LANXESS Distribution GmbH (DE) 2011-05-04 EP claimed
EP-2153720-A1 Fungicide mixtures comprising formate LANXESS Distribution GmbH (DE) 2010-02-17 EP claimed
WO-2010015635-A2 FUNGICIDE MIXTURES LANXESS DISTRIBUTION GMBH (DE) 2010-02-11 WO claimed
EP-2533633-B1 FUNGICIDAL MIXTURES LANXESS DISTRIB GMBH (DE) 2017-02-01 EP disclosed
EP-2233466-B1 4-Alkoxy-1-amino-1-cyclohexanecarboxylic acid derivatives and their use as intermediates BAYER IP GMBH (DE) 2015-06-10 EP disclosed
EP-2030969-B1 Spirocyclic 3-phenyl-3-substituted 4-ketolactams and 4-ketolactones BAYER IP GMBH (DE) 2015-03-18 EP disclosed
EP-1830651-B1 INSECTICIDES BASED ON SELECTED NEONICOTINOIDS AND STROBILURINS BAYER CROPSCIENCE AG (DE) 2014-04-30 EP disclosed
EP-2127523-B1 Insecticide on the basis of neonicotinoids and selected strobilurins BAYER CROPSCIENCE AG (DE) 2013-05-22 EP disclosed
EP-1533303-B1 Substituted Aminosalicylacid Amides ( intermediates ) BAYER CROPSCIENCE AG (DE) 2013-04-24 EP disclosed
EP-1423003-B1 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS CONTAINING TRIFLOXYSTROBIN BAYER CROPSCIENCE AG (DE) 2013-03-27 EP disclosed
WO-1998003495-A1 DIHYDROFURAN CARBOXAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-01-29 WO disclosed
WO-1997048280-A1 USE OF PYRROLOPYRIMIDINES TO COMBAT PESTS BAYER AKTIENGESELLSCHAFT (DE) 1997-12-24 WO disclosed
WO-1997047620-A1 N-SULFONYLIMIDAZOLES USED AS FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-18 WO disclosed
WO-1997047606-A1 ARYLOXYACRYLIC ACID ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1997-12-18 WO disclosed
WO-1997047589-A1 AMINOPHTHALIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-18 WO disclosed
WO-1997026251-A1 ACYLATED 5-AMINO-1,2,4-THIADIAZOLES AS PESTICIDES AND FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-24 WO disclosed
WO-1997008135-A1 ACYLAMINOSALICYLIC ACID AMIDES AND THEIR USES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-06 WO disclosed