SCHEMBL11233416

SCHEMBL11233416

CCCOC(=O)C(C)CNCCN

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.38
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
ACHE P22303 7/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.33
ERAP2 Q6P179 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
TLR2 O60603 1/20 0.33
RRM1 P23921 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
SCHEMBL11371302 0.97 LMNA (0.37) ANPEPSCN1ASCN2ASCN3AACHE
SCHEMBL8082761 0.91 ALDH1A1 (0.42) ANPEPACHEALDH1A1LMNA
SCHEMBL11235503 0.90 EPHX1 (0.43) ACHEALDH1A1TLR2
SCHEMBL11236210 0.88 EPHX1 (0.46) ANPEPACHEALDH1A1ERAP2TLR2
SCHEMBL11232627 0.88 EPHX1 (0.46) ANPEPACHEALDH1A1ERAP2TLR2
SCHEMBL11231028 0.88 EPHX1 (0.46) ANPEPACHEALDH1A1ERAP2TLR2
SCHEMBL11230937 0.88 EPHX1 (0.46) ANPEPACHEALDH1A1ERAP2TLR2
SCHEMBL11221146 0.88 EPHX1 (0.46) ANPEPACHEALDH1A1ERAP2TLR2
SCHEMBL11236080 0.88 EPHX1 (0.46) ANPEPACHEALDH1A1ERAP2TLR2
SCHEMBL11228085 0.88 EPHX1 (0.46) ANPEPACHEALDH1A1ERAP2TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4315846-A FUNGICIDES TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-16 US disclosed
EP-0037861-A1 Salts of alkylenebisdithiocarbamic acid derivatives, processes for their preparation, fungicidal compositions containing them and methods of combating fungi TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1981-10-21 EP disclosed