SCHEMBL4840256

SCHEMBL4840256

CCCCC(C)NC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
OPRM1 P35372 1/20 0.39
SPHK1 Q9NYA1 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MLYCD O95822 1/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
SPHK2 Q9NRA0 1/20 0.37
TP53 P04637 1/20 0.36
SLC15A1 P46059 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 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
SCHEMBL13587256 0.94 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13725523 0.94 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1068405 0.94 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
Hydrochloric Acid SCHEMBL6273268 0.92 ADH1B (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10310238 0.86
SCHEMBL3421952 0.86 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2ADH1BADH1C
Acetic Acid SCHEMBL11044644 0.85 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL17030122 0.83
SCHEMBL21908450 0.81 PLA2G2C (0.42) OPRM1SPHK1CA1CA2DPP8
SCHEMBL11331509 0.80 PLA2G2C (0.41) SPHK1CA1CA2DPP8DPP7

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
WO-2008010043-A2 IMPROVED PROCESS FOR THE PREPARATION OF CEFORANIDE IN PURE FORM ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2008-01-24 WO disclosed
US-4659814-A Salts of amino-beta-lactamic acids and process for the preparation thereof GEMA, S.A. (ES) 1987-04-21 US disclosed
EP-0127541-A2 Salts of amino-beta-lactamic acids and process for the preparation thereof GEMA S.A. (ES) 1984-12-05 EP disclosed