SCHEMBL11230801

SCHEMBL11230801

CC(N)CNCCC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
ALOX15 P16050 1/20 0.35

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
SCHEMBL3318901 0.84 SCN1A (0.41) DPP4DPP8DPP9ANPEPALDH1A1
SCHEMBL11111001 0.83 GABRP (0.52) DPP4DPP8DPP9GABRPGABRD
SCHEMBL11328094 0.83 ALDH1A1 (0.42) DPP4DPP8DPP9KMT2AALDH1A1
SCHEMBL11227119 0.79 CA12 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11221425 0.76 LMNA (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL26487740 0.76 ALOX15 (0.32) ALOX15BLMPMP22KMT2A
SCHEMBL9043256 0.75 ALDH1A1 (0.39) ALOX15ANPEPALDH1A1
SCHEMBL753089 0.75 ALDH1A1 (0.39) ALOX15ANPEPALDH1A1
SCHEMBL1806852 0.75 MAOA (0.37) ALOX15BLMPMP22KMT2AALDH1A1
SCHEMBL9079391 0.75 ALDH1A1 (0.39) ALOX15ANPEPALDH1A1

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