Captan

Captan

SCHEMBL5586544

O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl.O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl.O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
HSD17B10 Q99714 3/20 0.61
TP53 P04637 3/20 0.61
HPGD P15428 2/20 0.61
ALOX15 P16050 2/20 0.61
LMNA P02545 2/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
KMT2A Q03164 1/20 0.61
HIF1A Q16665 1/20 0.61
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX12 P18054 1/20 0.33
MC4R P32245 1/20 0.33
POLB P06746 1/20 0.32
USP2 O75604 2/20 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
Folpet SCHEMBL11317169 1.00 ALDH1A1 (0.61) ALDH1A1HSD17B10TP53HPGDALOX15
Captan SCHEMBL465873 0.91 ALDH1A1 (0.73) ALDH1A1HSD17B10TP53HPGDALOX15
Captan SCHEMBL4293213 0.88 ALDH1A1 (0.78) ALDH1A1HSD17B10TP53HPGDALOX15
Naphthalene SCHEMBL5328383 0.86 ALDH1A1 (0.59) ALDH1A1HSD17B10TP53HPGDALOX15
Naphthoquinone SCHEMBL2239482 0.85 ALDH1A1 (0.52) ALDH1A1HSD17B10TP53HPGDALOX15
Benzene SCHEMBL5324108 0.84 ALDH1A1 (0.65) ALDH1A1HSD17B10TP53HPGDALOX15
Benzene SCHEMBL192784 0.84 ALDH1A1 (0.65) ALDH1A1HSD17B10TP53HPGDALOX15
SCHEMBL22930 0.84 ALDH1A1 (0.69) ALDH1A1HSD17B10TP53HPGDALOX15
SCHEMBL22931 0.84 ALDH1A1 (0.69) ALDH1A1HSD17B10TP53HPGDALOX15
Toluene SCHEMBL6274972 0.84 ALDH1A1 (0.54) ALDH1A1HSD17B10TP53HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007531615-A 2007-11-08 JP claimed
WO-2005092473-A1 PRODUCTION METHOD, AND FILTER COMPRISING NON-WOVEN FABRIC AND/OR FILTERING INJECTOR STRUCTURES OR SHEETS WHICH ARE OBTAINED USING SAID METHOD AND WHICH ARE INTENDED FOR THE FILTRATION AND ELIMINATION OF LEGIONELLA PNEUMOPHILA IN ANY INSTALLATION WITH A RISK OF LEGIONELLA PNEUMOPHILA PROLIFERATION ESPUELAS PENALVA JOAQUIN (ES) 2005-10-06 WO claimed
WO-2005092473-A1 PRODUCTION METHOD, AND FILTER COMPRISING NON-WOVEN FABRIC AND/OR FILTERING INJECTOR STRUCTURES OR SHEETS WHICH ARE OBTAINED USING SAID METHOD AND WHICH ARE INTENDED FOR THE FILTRATION AND ELIMINATION OF LEGIONELLA PNEUMOPHILA IN ANY INSTALLATION WITH A RISK OF LEGIONELLA PNEUMOPHILA PROLIFERATION ESPUELAS PENALVA JOAQUIN (ES) 2005-10-06 WO disclosed