SCHEMBL10901436

SCHEMBL10901436

CCCCCCCCCCCCNC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GMNN O75496 2/20 0.67
LMNA P02545 2/20 0.67
BLM P54132 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
PRKD3 O94806 1/20 0.67
PRKCG P05129 1/20 0.67
PRKCB P05771 1/20 0.67
PRKCA P17252 1/20 0.67
PRKCH P24723 1/20 0.67
AKT1 P31749 1/20 0.67
PRKCI P41743 1/20 0.67
PRKCE Q02156 1/20 0.67
PRKCQ Q04759 1/20 0.67
PRKCZ Q05513 1/20 0.67
PRKCD Q05655 1/20 0.67
PRKD1 Q15139 1/20 0.67
ALDH1A1 P00352 1/20 0.67
MAPK1 P28482 1/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67

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
SCHEMBL10899025 1.00 GMNN (0.67) GMNNLMNABLMSMN1; SMN2PRKD3
SCHEMBL10897338 1.00 GMNN (0.67) GMNNLMNABLMSMN1; SMN2PRKD3
SCHEMBL10899413 1.00 GMNN (0.67) GMNNLMNABLMSMN1; SMN2PRKD3
SCHEMBL10901706 1.00 GMNN (0.67) GMNNLMNABLMSMN1; SMN2PRKD3
SCHEMBL10900342 1.00 GMNN (0.67) GMNNLMNABLMSMN1; SMN2PRKD3
SCHEMBL10898664 1.00 GMNN (0.67) GMNNLMNABLMSMN1; SMN2PRKD3
SCHEMBL10599276 0.94 GMNN (0.62) GMNNLMNABLMSMN1; SMN2PRKD3
SCHEMBL10599948 0.91 MAPT (0.73) GMNNLMNABLMSMN1; SMN2PRKD3
SCHEMBL10832484 0.90 SMN1; SMN2 (0.63) GMNNLMNABLMSMN1; SMN2PRKD3
SCHEMBL10602916 0.90 SMN1; SMN2 (0.68) GMNNLMNABLMSMN1; SMN2PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4565865-A ANTITUMOR AGENTS, MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-01-21 US disclosed
US-4408052-A FUNGICIDES AND ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-10-04 US disclosed
EP-0035375-B1 CARBAMIC ACID ESTERS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1983-08-10 EP disclosed
EP-0035375-A1 Carbamic acid esters, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-09-09 EP disclosed