SCHEMBL9469716

SCHEMBL9469716

COC(=O)CC([C]=O)N(C)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 3/20 0.33
HSD17B10 Q99714 1/20 0.31
KCNA5 P22460 1/20 0.31
ABCB1 P08183 1/20 0.31

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
SCHEMBL3061108 0.79 SLC22A6 (0.32) GAA
SCHEMBL10019517 0.72 MGAM (0.37) MGAMGAASIMGAM2MEN1
SCHEMBL9469814 0.71 CHRM2 (0.34)
SCHEMBL9470267 0.71 CHRM2 (0.31)
SCHEMBL9469816 0.71 CHRM2 (0.34)
SCHEMBL9469142 0.69 DPP4 (0.31)
SCHEMBL9469233 0.69 DPP4 (0.31)
SCHEMBL10368343 0.67
SCHEMBL9470104 0.67 RNPEP (0.37)
SCHEMBL9469916 0.67 PDF (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5217713-A Anticancer agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-08 US disclosed
US-5141736-A Complexed with ansamitocin TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-25 US disclosed
EP-0014402-B1 NOVEL 20-0-ACYLMAYTANSINOIDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Chemical Industries, Ltd. (JP) 1983-07-20 EP disclosed
US-4371533-A ANTITUMOR, ANTIPROTOZOA AND ANTIFUNGAL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-02-01 US disclosed
US-4361650-A BACILLUS, STREPTOMYCES OR ACTINOMYCES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-11-30 US disclosed
EP-0049528-A1 4,5-Deoxymaytansinoids, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-04-14 EP disclosed
EP-0004466-B1 DEMETHYL MAYTANSINOIDS AND METHODS FOR PRODUCING THEM Takeda Chemical Industries, Ltd. (JP) 1982-01-27 EP disclosed
US-4307016-A FUNGICIDES, PROTOZOACIDES OR ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-22 US disclosed
US-4294757-A BLEACHING CELLULOSE FIBERS AND ADDITION OF ALKALI METAL POLYPHOSPHATES AND ALKALI METAL DIETHYLENETRIAMINE PENTA(METHYLENE PHOSPHONAT) TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1981-10-13 US disclosed
EP-0014402-A1 Novel 20-0-acylmaytansinoids, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-08-20 EP disclosed
EP-0004466-A1 Demethyl maytansinoids and methods for producing them Takeda Chemical Industries, Ltd. (JP) 1979-10-03 EP disclosed