SCHEMBL11233490

SCHEMBL11233490

CCOC(=O)C(C)CNCC(C)N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
METAP2 P50579 8/20 0.36
METAP1 P53582 6/20 0.36
CAD P27708 1/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 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
SCHEMBL26529454 0.90 GAA (0.44) GAAALOX15MGAMSIMGAM2
SCHEMBL11221215 0.85 LMNA (0.33) ALDH1A1LMNA
SCHEMBL11225818 0.84 SMN1; SMN2 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11228618 0.82 ALDH1A1 (0.41) ALDH1A1HPGDCYP2C19CYP3A4CYP2D6
SCHEMBL11227197 0.81 TSHR (0.33)
SCHEMBL11232368 0.81 CYP1A2 (0.42) GAAALOX15MGAMSIMGAM2
SCHEMBL11372828 0.78 CYP1A2 (0.40) GAAALOX15MGAMSIMGAM2
SCHEMBL6922121 0.77 GAA (0.46) GAAALOX15MGAMSIMGAM2
SCHEMBL11230401 0.76 CPB2 (0.37) GAAALOX15MGAMSIMGAM2
SCHEMBL26529430 0.76 ACHE (0.40) GAAMGAMSIMGAM2

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