SCHEMBL9470100

SCHEMBL9470100

CSCCC([C]=O)N(C)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.37
ALDH1A1 P00352 1/20 0.31
ANPEP P15144 1/20 0.31
ENPEP Q07075 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL9470104 1.00 RNPEP (0.37) RNPEPALDH1A1ANPEPENPEPCTSS
SCHEMBL9470267 0.82 CHRM2 (0.31)
SCHEMBL9781788 0.76 RNPEP (0.52) RNPEPALDH1A1
SCHEMBL9781791 0.76 RNPEP (0.52) RNPEPALDH1A1
Hydrochloric Acid SCHEMBL11457425 0.71 RNPEP (0.47) RNPEP
Hydrochloric Acid SCHEMBL11457424 0.71 RNPEP (0.47) RNPEP
SCHEMBL3061108 0.71 SLC22A6 (0.32) ALDH1A1
SCHEMBL9469816 0.71 CHRM2 (0.34) RNPEPALDH1A1
SCHEMBL9469814 0.71 CHRM2 (0.34) RNPEPALDH1A1
SCHEMBL9470107 0.70 RNPEP (0.37) RNPEPALDH1A1

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 18 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-0376176-A2 Bispecific monoclonal antibody, its production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-04 EP disclosed
EP-0065730-B1 9-THIOMAYTANSINOIDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1986-09-10 EP disclosed
US-4424219-A ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-01-03 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
EP-0065730-A1 9-Thiomaytansinoids, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-12-01 EP 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
US-4260608-A ANTIMICROBIAL, ANTIMITOTIC, AND ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-04-07 US disclosed
US-4256746-A ANTITUMOR AGENTS; MICROBIOCIDES; MITOSIS TAKEDA CHEMICAL INDUSTRIES (JP) 1981-03-17 US disclosed
EP-0011276-A1 Maytansinoids, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-05-28 EP disclosed
EP-0011277-A1 Dechloromaytansinoids, their production and use and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-05-28 EP disclosed
EP-0004466-A1 Demethyl maytansinoids and methods for producing them Takeda Chemical Industries, Ltd. (JP) 1979-10-03 EP disclosed